5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid

C14H12FNO3S — CID 60721995

IUPAC5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H12FNO3S/c1-16(8-9-2-4-10(15)5-3-9)13(17)11-6-7-12(20-11)14(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyIDDSVXUFDVZMPE-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.86
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid

5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 60721995) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID60721995
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H12FNO3S/c1-16(8-9-2-4-10(15)5-3-9)13(17)11-6-7-12(20-11)14(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyIDDSVXUFDVZMPE-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid (CID 60721995) is 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid is CN(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is IDDSVXUFDVZMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-16(8-9-2-4-10(15)5-3-9)13(17)11-6-7-12(20-11)14(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60721995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).