2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide

C15H16N2O2S — CID 18196740

IUPAC2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H16N2O2S/c1-9-8-13(10(2)20-9)15(19)17-12-6-4-11(5-7-12)14(18)16-3/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyMPMVFYCMELBEFG-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.98
Rot. Bonds3

About 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide

2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide (PubChem CID 18196740) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
PubChem CID18196740
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H16N2O2S/c1-9-8-13(10(2)20-9)15(19)17-12-6-4-11(5-7-12)14(18)16-3/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyMPMVFYCMELBEFG-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 39862739
5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 90104682
2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
CID 62034278
N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 135292739
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide (CID 18196740) is 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide is CNC(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide?
The InChIKey is MPMVFYCMELBEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-8-13(10(2)20-9)15(19)17-12-6-4-11(5-7-12)14(18)16-3/h4-8H,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide?
2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 18196740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).