3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate

C13H10NO3S- — CID 6987136

IUPAC3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
SMILESCc1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1
InChIInChI=1S/C13H11NO3S/c1-8-2-4-9(5-3-8)12(15)14-10-6-7-18-11(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyOEGYJETWWYWHAS-UHFFFAOYSA-M
MW260.29 g/mol
LogP1.67
Rot. Bonds3

About 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate

3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate (PubChem CID 6987136) has the molecular formula C13H10NO3S- and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
PubChem CID6987136
Molecular FormulaC13H10NO3S-
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
SMILESCc1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1
InChIInChI=1S/C13H11NO3S/c1-8-2-4-9(5-3-8)12(15)14-10-6-7-18-11(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyOEGYJETWWYWHAS-UHFFFAOYSA-M
XLogP1.67
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid
CID 43358110
3-[(2,6-dichlorobenzoyl)amino]thiophene-2-carboxylate
CID 7100342
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
3-[(6-methylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 16782205
3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide
CID 141467383
methyl 3-[[4-(bromomethyl)benzoyl]amino]thiophene-2-carboxylate
CID 102850860
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 107948948
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
CID 47323861
N-(2-amino-4-nitrophenyl)-4-methylbenzamide
CID 3538621

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate (CID 6987136) is 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate is Cc1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is OEGYJETWWYWHAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO3S/c1-8-2-4-9(5-3-8)12(15)14-10-6-7-18-11(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)/p-1.
What are the key properties of 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate?
3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 6987136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).