5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide

C17H20N2O2S — CID 695695

IUPAC5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide
SMILESCCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
InChIInChI=1S/C17H20N2O2S/c1-3-7-14(20)19-17-15(16(18)21)11(2)13(22-17)10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyZVQSCNBRYZYGMI-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.48
Rot. Bonds6

About 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide

5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide (PubChem CID 695695) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide
PubChem CID695695
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide
SMILESCCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
InChIInChI=1S/C17H20N2O2S/c1-3-7-14(20)19-17-15(16(18)21)11(2)13(22-17)10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyZVQSCNBRYZYGMI-UHFFFAOYSA-N
XLogP3.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tpca-1
CID 9903786
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CID 703965
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CID 673481
N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
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CID 10220851
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
6-Tert-butyl-2-[(2,6-difluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3604361
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-(2-(Benzo[b]thiophen-3-yl)acetamido)thiophene-3-carboxamide
CID 46926788
2-((2-Bromo-2,2-difluoroacetyl)amino)-5,6,7,8-tetrahydro-N-(2-methylphenyl)-4H-cyclohepta(b)thiophene-3-carboxamide
CID 129897070
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 700253

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide (CID 695695) is 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide is CCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O.
What is the InChIKey of 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide?
The InChIKey is ZVQSCNBRYZYGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-7-14(20)19-17-15(16(18)21)11(2)13(22-17)10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide?
5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 695695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).