2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid

C20H16N2O4S — CID 1432969

IUPAC2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
SMILESCc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C20H16N2O4S/c1-12-8-9-13(21-19(24)17-7-4-10-27-17)11-16(12)22-18(23)14-5-2-3-6-15(14)20(25)26/h2-11H,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyGEWTXRSTBSOCKZ-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.26
Rot. Bonds5

About 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid

2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid (PubChem CID 1432969) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
PubChem CID1432969
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
SMILESCc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C20H16N2O4S/c1-12-8-9-13(21-19(24)17-7-4-10-27-17)11-16(12)22-18(23)14-5-2-3-6-15(14)20(25)26/h2-11H,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyGEWTXRSTBSOCKZ-UHFFFAOYSA-N
XLogP4.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-(3-acetamido-4-methylphenyl)-2-iodobenzamide
CID 54777055
4-methyl-3-(thiophene-2-carbonylamino)benzoate
CID 5122270
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 9324132
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55766108
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid (CID 1432969) is 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid is Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid?
The InChIKey is GEWTXRSTBSOCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-12-8-9-13(21-19(24)17-7-4-10-27-17)11-16(12)22-18(23)14-5-2-3-6-15(14)20(25)26/h2-11H,1H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid?
2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid has a molecular weight of 380.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 1432969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).