5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid

C16H16FNO3S — CID 119183626

IUPAC5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCC(C)(CNC(=O)c1ccc(C(=O)O)s1)c1ccccc1F
InChIInChI=1S/C16H16FNO3S/c1-16(2,10-5-3-4-6-11(10)17)9-18-14(19)12-7-8-13(22-12)15(20)21/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNKZDOWFHQOTYPP-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.29
Rot. Bonds5

About 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid

5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid (PubChem CID 119183626) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
PubChem CID119183626
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCC(C)(CNC(=O)c1ccc(C(=O)O)s1)c1ccccc1F
InChIInChI=1S/C16H16FNO3S/c1-16(2,10-5-3-4-6-11(10)17)9-18-14(19)12-7-8-13(22-12)15(20)21/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNKZDOWFHQOTYPP-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685423
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
N-[2-(2-fluorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
CID 110468020
3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide
CID 52834645
5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid
CID 104764730
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid
CID 115218193
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 51104213
4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide
CID 52834676
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid (CID 119183626) is 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid is CC(C)(CNC(=O)c1ccc(C(=O)O)s1)c1ccccc1F.
What is the InChIKey of 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is NKZDOWFHQOTYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-16(2,10-5-3-4-6-11(10)17)9-18-14(19)12-7-8-13(22-12)15(20)21/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid?
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119183626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).