2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate

C13H9ClNO3S- — CID 6954275

IUPAC2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate
SMILESCc1cc(C(=O)[O-])c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H10ClNO3S/c1-7-6-10(13(17)18)12(19-7)15-11(16)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18)/p-1
InChIKeyYFDOKEVVHSXUTQ-UHFFFAOYSA-M
MW294.74 g/mol
LogP2.33
Rot. Bonds3

About 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate

2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 6954275) has the molecular formula C13H9ClNO3S- and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID6954275
Molecular FormulaC13H9ClNO3S-
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate
SMILESCc1cc(C(=O)[O-])c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H10ClNO3S/c1-7-6-10(13(17)18)12(19-7)15-11(16)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18)/p-1
InChIKeyYFDOKEVVHSXUTQ-UHFFFAOYSA-M
XLogP2.33
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045
N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162699
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501
2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107937973
2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107986673
ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 1038105
5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 63615838
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
5-methyl-2-[[4-(triazol-1-yl)benzoyl]amino]thiophene-3-carboxamide
CID 75434199

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate (CID 6954275) is 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate is Cc1cc(C(=O)[O-])c(NC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is YFDOKEVVHSXUTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10ClNO3S/c1-7-6-10(13(17)18)12(19-7)15-11(16)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate?
2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate has a molecular weight of 294.74 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 6954275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).