Basic information
- CAS
771503-50-5- Standard SMILES
COc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1OC- InChIKey
YYFFDVXAQUCDGE-UHFFFAOYSA-N- Molecular formula
- C15H16N2O4S
- Average molar mass
- 320.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-(3,4-Dimethoxyphenyl)acetamido)thiophene-3-carboxamide
- IUPAC
- 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
- English name
- 3-Thiophenecarboxamide, 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-
- Molecular formula
- C15H16N2O4S
- Molecular weight
- 320.36
Names & synonyms
771503-50-5WAY-349858CHEMBL17672853-Thiophenecarboxamide, 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-(2-(3,4-dimethoxyphenyl)acetamido)thiophene-3-carboxamide2-[[2-(3,4-Dimethoxyphenyl)acetyl]amino]-3-thiophenecarboxamideJNK-IN-22orb1473237orb2945503BDBM50342373WAY-349858?AS-88003
Show more names
2-[2-(3,4-dimethoxyphenyl)acetamido]thiophene-3-carboxamide
HY-169609H49752T204585Z29084403
Database identifiers
- CAS
771503-50-5- ChEMBL
CHEMBL1767285
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 586.4 · 586.4±50.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 13.54 · 13.54±0.70(Predicted)
Chemistry & industry
Applications
UsesJNK-IN-22 (Compound 58) is a JNK-1 inhibitor[1].
Suppliers10 total
韶关市启程生物科技有限公司18122215013 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Aladdin Scientific[email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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