3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid

C13H11NO4S — CID 16770599

IUPAC3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
SMILESCOc1ccccc1C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H11NO4S/c1-18-10-5-3-2-4-8(10)12(15)14-9-6-7-19-11(9)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyNPPGKNIEWGZECI-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.71
Rot. Bonds4

About 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid

3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 16770599) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID16770599
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
SMILESCOc1ccccc1C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H11NO4S/c1-18-10-5-3-2-4-8(10)12(15)14-9-6-7-19-11(9)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyNPPGKNIEWGZECI-UHFFFAOYSA-N
XLogP2.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16774257
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
CID 61376688
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
CID 41428666
methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate
CID 26704872
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid (CID 16770599) is 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid is COc1ccccc1C(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is NPPGKNIEWGZECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-18-10-5-3-2-4-8(10)12(15)14-9-6-7-19-11(9)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid?
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 16770599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).