2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide

C18H22N2O2S — CID 947379

IUPAC2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide
SMILESCCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H22N2O2S/c1-5-7-15(21)20-18-16(12(3)13(4)23-18)17(22)19-14-9-6-8-11(2)10-14/h6,8-10H,5,7H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyLYIQEFTYYFEBDF-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.66
Rot. Bonds5

About 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide

2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide (PubChem CID 947379) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide
PubChem CID947379
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide
SMILESCCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H22N2O2S/c1-5-7-15(21)20-18-16(12(3)13(4)23-18)17(22)19-14-9-6-8-11(2)10-14/h6,8-10H,5,7H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyLYIQEFTYYFEBDF-UHFFFAOYSA-N
XLogP4.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4,5-dimethyl-2-[(3-methylphenyl)carbamothioylamino]thiophene-3-carboxylate
CID 7939432
ethyl 2-(butanoylamino)-5-[(3-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17061989
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
ethyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 17062582
2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide
CID 53245483
N-[6-[2-(3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289861
N-[3-(butanoylamino)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 87026220
N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]-3-methylbenzamide
CID 3165977
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
ethyl 4,5-dimethyl-2-[[2-[2-(3-methylphenoxy)acetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 8910414
2-hydroxy-N-(3-methylphenyl)naphthalene-1-carboxamide
CID 86575396
6-tert-butyl-N-(3-methylphenyl)-2-[[2-(propylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3736696

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide (CID 947379) is 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide is CCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide?
The InChIKey is LYIQEFTYYFEBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-5-7-15(21)20-18-16(12(3)13(4)23-18)17(22)19-14-9-6-8-11(2)10-14/h6,8-10H,5,7H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide?
2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 947379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).