3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid

C18H12FNO3S — CID 177371253

IUPAC3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)c1
InChIInChI=1S/C18H12FNO3S/c19-13-5-2-6-14(10-13)20-17(21)16-8-7-15(24-16)11-3-1-4-12(9-11)18(22)23/h1-10H,(H,20,21)(H,22,23)
InChIKeyUEBRLSQJUKZQGJ-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.50
Rot. Bonds4

About 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid

3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid (PubChem CID 177371253) has the molecular formula C18H12FNO3S and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid
PubChem CID177371253
Molecular FormulaC18H12FNO3S
Molecular Weight341.36 g/mol
Exact Mass341.05
IUPAC Name3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)c1
InChIInChI=1S/C18H12FNO3S/c19-13-5-2-6-14(10-13)20-17(21)16-8-7-15(24-16)11-3-1-4-12(9-11)18(22)23/h1-10H,(H,20,21)(H,22,23)
InChIKeyUEBRLSQJUKZQGJ-UHFFFAOYSA-N
XLogP4.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Thiophene-2-amido)benzoic acid
CID 746807
2-(Thiophene-2-amido)benzoic acid
CID 643302
3-[(4-phenylphenyl)carbamoyl]thiophene-2-carboxylic Acid
CID 9861992
4-[(4-Phenylphenyl)carbamoyl]thiophene-3-carboxylic acid
CID 23647302
SARS-CoV-2 PLpro Inhibitor, 75
CID 156907319
2-Benzamido-5-phenylthiophene-3-carboxylic acid
CID 709215
2-(4-Fluoro-benzoylamino)-4-phenyl-thiophene-3-carboxylic acid
CID 829695
2-(4-Fluorobenzamido)-4-(p-tolyl)thiophene-3-carboxylic acid
CID 1353686
4-Methyl-3-[(thiophen-2-ylcarbonyl)amino]benzoic acid
CID 743768
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2063873
NEP inhibitor, 6k
CID 9797197
2-(2-Fluoro-benzoylamino)-4-phenyl-thiophene-3-carboxylic acid
CID 829698

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid?
The IUPAC name of 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid (CID 177371253) is 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid.
What is the SMILES notation for 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid?
The canonical SMILES for 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid is O=C(O)c1cccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)c1.
What is the InChIKey of 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid?
The InChIKey is UEBRLSQJUKZQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO3S/c19-13-5-2-6-14(10-13)20-17(21)16-8-7-15(24-16)11-3-1-4-12(9-11)18(22)23/h1-10H,(H,20,21)(H,22,23).
What are the key properties of 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid?
3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid has a molecular weight of 341.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluorophenyl)carbamoyl]thiophen-2-yl]benzoic acid is sourced from PubChem (CID 177371253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).