Methyl 3-({2-[(4-bromophenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
Basic information
- CAS
477869-14-0- Standard SMILES
COC(=O)c1sccc1NC(=O)CSc1ccc(Br)cc1- InChIKey
DVDPJTQYPDQEJF-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO3S2
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 384.9442
Names & identifiers
- Preferred name
- Methyl 3-({2-[(4-bromophenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate
- IUPAC
- methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
Names & synonyms
477869-14-0methyl 3-({2-[(4-bromophenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylatemethyl 3-{2-[(4-bromophenyl)sulfanyl]acetamido}thiophene-2-carboxylateMFCD01814719CHEMBL2420414methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]thiophene-2-carboxylateBionet1_003437C14H12BrNO3S2SCHEMBL4751462HMS578H19DTXSID301154069BDBM50439376
Show more names
AKOS0050833781P-539SMethyl 3-(2-((4-bromophenyl)thio)acetamido)thiophene-2-carboxylateMethyl 3-[[2-[(4-bromophenyl)thio]acetyl]amino]-2-thiophenecarboxylatemethyl3-{2-[(4-bromophenyl)sulfanyl]acetamido}thiophene-2-carboxylate
Database identifiers
- CAS
477869-14-0- PubChem CID
- 1491014
- DTXSID
DTXSID301154069- ChEMBL
CHEMBL2420414
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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