4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid

C16H16FNO4S — CID 167925457

IUPAC4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOc1ccccc1C(CF)NC(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C16H16FNO4S/c1-9-11(7-14(23-9)16(20)21)15(19)18-12(8-17)10-5-3-4-6-13(10)22-2/h3-7,12H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPQHQXWFSBFTFQV-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.20
Rot. Bonds6

About 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid

4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 167925457) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID167925457
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOc1ccccc1C(CF)NC(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C16H16FNO4S/c1-9-11(7-14(23-9)16(20)21)15(19)18-12(8-17)10-5-3-4-6-13(10)22-2/h3-7,12H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPQHQXWFSBFTFQV-UHFFFAOYSA-N
XLogP3.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride
CID 120638250
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CID 38839315
N-[(1R)-1-(2-methoxyphenyl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976267
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106261805
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 47014744
5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 116810851
4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
CID 100715050
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid (CID 167925457) is 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid is COc1ccccc1C(CF)NC(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is PQHQXWFSBFTFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-9-11(7-14(23-9)16(20)21)15(19)18-12(8-17)10-5-3-4-6-13(10)22-2/h3-7,12H,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid?
4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 337.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-1-(2-methoxyphenyl)ethyl]carbamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 167925457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).