3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide

C18H21FN2O3S2 — CID 22315157

IUPAC3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C18H21FN2O3S2/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18/h6-9,11-12,14H,2-5,10H2,1H3,(H,20,21,22)
InChIKeyGSPZAFRUOLJTCF-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.99
Rot. Bonds6

About 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide

3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 22315157) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID22315157
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC Name3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C18H21FN2O3S2/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18/h6-9,11-12,14H,2-5,10H2,1H3,(H,20,21,22)
InChIKeyGSPZAFRUOLJTCF-UHFFFAOYSA-N
XLogP3.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-methyl-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 22315157) is 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1F.
What is the InChIKey of 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GSPZAFRUOLJTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18/h6-9,11-12,14H,2-5,10H2,1H3,(H,20,21,22).
What are the key properties of 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 396.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(3-fluoro-4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22315157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).