5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide

C18H22N2O2S — CID 2237364

IUPAC5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccccc2)sc(NC(=O)C(C)(C)C)c1C(N)=O
InChIInChI=1S/C18H22N2O2S/c1-11-13(10-12-8-6-5-7-9-12)23-16(14(11)15(19)21)20-17(22)18(2,3)4/h5-9H,10H2,1-4H3,(H2,19,21)(H,20,22)
InChIKeyCERAMFLZAAUZAB-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.73
Rot. Bonds4

About 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide

5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide (PubChem CID 2237364) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide
PubChem CID2237364
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccccc2)sc(NC(=O)C(C)(C)C)c1C(N)=O
InChIInChI=1S/C18H22N2O2S/c1-11-13(10-12-8-6-5-7-9-12)23-16(14(11)15(19)21)20-17(22)18(2,3)4/h5-9H,10H2,1-4H3,(H2,19,21)(H,20,22)
InChIKeyCERAMFLZAAUZAB-UHFFFAOYSA-N
XLogP3.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.73
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
(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-((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
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 830161

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide (CID 2237364) is 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide is Cc1c(Cc2ccccc2)sc(NC(=O)C(C)(C)C)c1C(N)=O.
What is the InChIKey of 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide?
The InChIKey is CERAMFLZAAUZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-11-13(10-12-8-6-5-7-9-12)23-16(14(11)15(19)21)20-17(22)18(2,3)4/h5-9H,10H2,1-4H3,(H2,19,21)(H,20,22).
What are the key properties of 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide?
5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 2237364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).