5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid

C14H12FNO3S — CID 43414516

IUPAC5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H12FNO3S/c1-16(8-9-3-2-4-10(15)7-9)13(17)11-5-6-12(20-11)14(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyUFPGDMUZAXVHGJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.86
Rot. Bonds4

About 5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid

5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 43414516) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID43414516
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H12FNO3S/c1-16(8-9-3-2-4-10(15)7-9)13(17)11-5-6-12(20-11)14(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyUFPGDMUZAXVHGJ-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-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid (CID 43414516) is 5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid is CN(Cc1cccc(F)c1)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is UFPGDMUZAXVHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-16(8-9-3-2-4-10(15)7-9)13(17)11-5-6-12(20-11)14(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 5-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
5-[(3-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-[(3-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43414516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).