5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide

C17H20N2O2S — CID 86821543

IUPAC5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)s1
InChIInChI=1S/C17H20N2O2S/c1-10(2)18-16(20)13-6-7-14(11(3)9-13)19-17(21)15-8-5-12(4)22-15/h5-10H,1-4H3,(H,18,20)(H,19,21)
InChIKeyPUMUEVVQOFBXRH-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.76
Rot. Bonds4

About 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide

5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 86821543) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID86821543
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)s1
InChIInChI=1S/C17H20N2O2S/c1-10(2)18-16(20)13-6-7-14(11(3)9-13)19-17(21)15-8-5-12(4)22-15/h5-10H,1-4H3,(H,18,20)(H,19,21)
InChIKeyPUMUEVVQOFBXRH-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 2550682
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 136578574
4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide
CID 86821558
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide
CID 47249430
3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 86821541
4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 55988825
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
3-methyl-N,4-di(propan-2-yl)benzamide
CID 59515405
N-(2,3-dimethylphenyl)-5-methylthiophene-2-carboxamide
CID 7733041

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 86821543) is 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)s1.
What is the InChIKey of 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is PUMUEVVQOFBXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-10(2)18-16(20)13-6-7-14(11(3)9-13)19-17(21)15-8-5-12(4)22-15/h5-10H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 86821543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).