N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide

C20H18N2O2S — CID 9324132

IUPACN-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)c(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C20H18N2O2S/c1-13-9-10-16(21-20(24)18-8-5-11-25-18)17(12-13)22-19(23)15-7-4-3-6-14(15)2/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyHXBMWDNXMNTYLW-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.87
Rot. Bonds4

About N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 9324132) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID9324132
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)c(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C20H18N2O2S/c1-13-9-10-16(21-20(24)18-8-5-11-25-18)17(12-13)22-19(23)15-7-4-3-6-14(15)2/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyHXBMWDNXMNTYLW-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[4-methyl-2-[(2-thiophen-2-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3164945
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-[(2,5-dimethylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866335
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1432969
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 47311026
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
3-methyl-4-(thiophene-2-carbonylamino)benzoate
CID 6978677

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 9324132) is N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)c(NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is HXBMWDNXMNTYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-13-9-10-16(21-20(24)18-8-5-11-25-18)17(12-13)22-19(23)15-7-4-3-6-14(15)2/h3-12H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9324132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).