5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide

C16H18N2O2S — CID 675873

IUPAC5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
InChIInChI=1S/C16H18N2O2S/c1-3-13(19)18-16-14(15(17)20)10(2)12(21-16)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyQZJMFFIMBRWTJT-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.09
Rot. Bonds5

About 5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide

5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide (PubChem CID 675873) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
PubChem CID675873
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
InChIInChI=1S/C16H18N2O2S/c1-3-13(19)18-16-14(15(17)20)10(2)12(21-16)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyQZJMFFIMBRWTJT-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tpca-1
CID 9903786
2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
2-((Cyclopropylcarbonyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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
3-(Carbamoylamino)-5-Phenylthiophene-2-Carboxamide
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-4-methyl-2-(propanoylamino)thiophene-3-carboxamide?
The IUPAC name of 5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide (CID 675873) is 5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide is CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O.
What is the InChIKey of 5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide?
The InChIKey is QZJMFFIMBRWTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-13(19)18-16-14(15(17)20)10(2)12(21-16)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide?
5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 675873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).