2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid

C14H11NO5S — CID 2808294

IUPAC2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid
SMILESCOC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H11NO5S/c1-20-14(19)11-10(6-7-21-11)15-12(16)8-4-2-3-5-9(8)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyYBZPPSKTEVMALW-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.49
Rot. Bonds4

About 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid

2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid (PubChem CID 2808294) has the molecular formula C14H11NO5S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid
PubChem CID2808294
Molecular FormulaC14H11NO5S
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid
SMILESCOC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H11NO5S/c1-20-14(19)11-10(6-7-21-11)15-12(16)8-4-2-3-5-9(8)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyYBZPPSKTEVMALW-UHFFFAOYSA-N
XLogP2.49
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Hts01037
CID 5714537
2-(Thiophene-2-amido)benzoic acid
CID 643302
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
Methyl 3-[(4-isopropylbenzoyl)amino]-2-thiophenecarboxylate
CID 896134
Methyl 3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylate
CID 2808363
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
2-[[3-Ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]carbamoyl]benzoic acid
CID 1353096
2-[(2-Acetyl-5-tert-butylthiophen-3-yl)carbamoyl]benzoic acid
CID 2808307
Methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 2808343
2-{[2-(Methoxycarbonyl)thiophen-3-yl]carbamoyl}cyclohexanecarboxylic acid
CID 2933845
Methyl 3-[(3-cyclohexylpropanoyl)amino]-2-thiophenecarboxylate
CID 903407

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid (CID 2808294) is 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid is COC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid?
The InChIKey is YBZPPSKTEVMALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5S/c1-20-14(19)11-10(6-7-21-11)15-12(16)8-4-2-3-5-9(8)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid?
2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid has a molecular weight of 305.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 2808294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).