2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

C20H18FNO3S — CID 21084761

IUPAC2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCSc1ccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)cc1
InChIInChI=1S/C20H18FNO3S/c1-26-14-8-5-12(6-9-14)13-7-10-18(17(21)11-13)22-19(23)15-3-2-4-16(15)20(24)25/h5-11H,2-4H2,1H3,(H,22,23)(H,24,25)
InChIKeyOMPKAEOIXRKNGR-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.72
Rot. Bonds5

About 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084761) has the molecular formula C20H18FNO3S and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084761
Molecular FormulaC20H18FNO3S
Molecular Weight371.43 g/mol
Exact Mass371.10
IUPAC Name2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCSc1ccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)cc1
InChIInChI=1S/C20H18FNO3S/c1-26-14-8-5-12(6-9-14)13-7-10-18(17(21)11-13)22-19(23)15-3-2-4-16(15)20(24)25/h5-11H,2-4H2,1H3,(H,22,23)(H,24,25)
InChIKeyOMPKAEOIXRKNGR-UHFFFAOYSA-N
XLogP4.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084763
N-[2-fluoro-4-(3-methylphenyl)phenyl]-2-prop-1-en-2-ylcyclopentene-1-carboxamide
CID 138668366
2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 21084767
calcium;bis(2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate);hydrate
CID 164512938
2-fluoro-4-(4-methylsulfanylphenyl)benzoic acid
CID 53226428
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084805
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967
N-[5-(4-fluorophenyl)-2-hydroxyphenyl]-4-methylsulfanylbenzamide
CID 168913853
2-[[4-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084792
[2-[[2-fluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carbonyl] 2-[[2-methoxy-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate
CID 87662420
2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 137436494
2-[(7-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclopentene-1-carboxylic acid
CID 134092384

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 21084761) is 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is CSc1ccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)cc1.
What is the InChIKey of 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is OMPKAEOIXRKNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3S/c1-26-14-8-5-12(6-9-14)13-7-10-18(17(21)11-13)22-19(23)15-3-2-4-16(15)20(24)25/h5-11H,2-4H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 371.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).