N-(2-thienylmethyl)-4-isopropylbenzamide

HCID 4597909
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Basic information

CAS
132992-48-4
Standard SMILES
CC(C)c1ccc(C(=O)NCc2cccs2)cc1
InChIKey
VOEJUMKFBDYPQO-UHFFFAOYSA-N
Molecular formula
C15H17NOS
Average molar mass
259.4 g/mol
Monoisotopic mass
259.10308534

Names & identifiers

Preferred name
N-(2-thienylmethyl)-4-isopropylbenzamide
IUPAC
4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
English name
4-(1-Methylethyl)-N-(2-thienylmethyl)benzamide
Molecular formula
C15H17NOS
Molecular weight
259.37

Names & synonyms

132992-48-44-(1-Methylethyl)-N-(2-thienylmethyl)benzamide4-(PROPAN-2-YL)-N-[(THIOPHEN-2-YL)METHYL]BENZAMIDEN-(2-thienylmethyl)-4-isopropylbenzamideSCHEMBL9729421VOEJUMKFBDYPQO-UHFFFAOYSA-NDTXSID501248739STK461242AKOS001114809ST509418664-(propan-2-yl)-N-(thiophen-2-ylmethyl)benzamideBenzamide, 4-(1-methylethyl)-N-(2-thienylmethyl)-
Show more names
Z29693788[4-(methylethyl)phenyl]-N-(2-thienylmethyl)carboxamide

Database identifiers

CAS
132992-48-4
PubChem CID
4597909
DTXSID
DTXSID501248739

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
57.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
18

Physicochemical properties

Boiling point
429.1 · 429.1±38.0 °C(Predicted)
Density
1.127 · 1.127±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
pka
14 · 14.00±0.46(Predicted)

Chemistry & industry

Suppliers1 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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