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

C14H11NO4S — CID 2808378

IUPAC2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid
SMILESCC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H11NO4S/c1-8(16)12-11(6-7-20-12)15-13(17)9-4-2-3-5-10(9)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyJBPSIUJQSLGDHC-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.90
Rot. Bonds4

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

2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid (PubChem CID 2808378) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid
PubChem CID2808378
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid
SMILESCC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H11NO4S/c1-8(16)12-11(6-7-20-12)15-13(17)9-4-2-3-5-10(9)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyJBPSIUJQSLGDHC-UHFFFAOYSA-N
XLogP2.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid (CID 2808378) is 2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid is CC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid?
The InChIKey is JBPSIUJQSLGDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c1-8(16)12-11(6-7-20-12)15-13(17)9-4-2-3-5-10(9)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid?
2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid has a molecular weight of 289.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetylthiophen-3-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 2808378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).