3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide

C20H26N2O4S2 — CID 22315246

IUPAC3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc(CCO)cs2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-28(25,26)17-8-6-15(7-9-17)18(12-14-4-2-3-5-14)19(24)22-20-21-16(10-11-23)13-27-20/h6-9,13-14,18,23H,2-5,10-12H2,1H3,(H,21,22,24)
InChIKeyJALGJZOCFQQQFR-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.38
Rot. Bonds8

About 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide

3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 22315246) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide
PubChem CID22315246
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc(CCO)cs2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-28(25,26)17-8-6-15(7-9-17)18(12-14-4-2-3-5-14)19(24)22-20-21-16(10-11-23)13-27-20/h6-9,13-14,18,23H,2-5,10-12H2,1H3,(H,21,22,24)
InChIKeyJALGJZOCFQQQFR-UHFFFAOYSA-N
XLogP3.38
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide (CID 22315246) is 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc(CCO)cs2)cc1.
What is the InChIKey of 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is JALGJZOCFQQQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-28(25,26)17-8-6-15(7-9-17)18(12-14-4-2-3-5-14)19(24)22-20-21-16(10-11-23)13-27-20/h6-9,13-14,18,23H,2-5,10-12H2,1H3,(H,21,22,24).
What are the key properties of 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide?
3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 422.57 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 22315246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).