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

C21H28N2O3S2 — CID 22315127

IUPAC2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCCCCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H28N2O3S2/c1-2-3-14-28(25,26)18-10-8-17(9-11-18)19(15-16-6-4-5-7-16)20(24)23-21-22-12-13-27-21/h8-13,16,19H,2-7,14-15H2,1H3,(H,22,23,24)
InChIKeyUXZOVQCULCZFTI-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.02
Rot. Bonds9

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

2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 22315127) has the molecular formula C21H28N2O3S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID22315127
Molecular FormulaC21H28N2O3S2
Molecular Weight420.60 g/mol
Exact Mass420.15
IUPAC Name2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCCCCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H28N2O3S2/c1-2-3-14-28(25,26)18-10-8-17(9-11-18)19(15-16-6-4-5-7-16)20(24)23-21-22-12-13-27-21/h8-13,16,19H,2-7,14-15H2,1H3,(H,22,23,24)
InChIKeyUXZOVQCULCZFTI-UHFFFAOYSA-N
XLogP5.02
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22467915
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
3-cyclopentyl-2-[4-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 174556459
3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925
3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid
CID 10320880
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 10200796

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide (CID 22315127) is 2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide is CCCCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UXZOVQCULCZFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S2/c1-2-3-14-28(25,26)18-10-8-17(9-11-18)19(15-16-6-4-5-7-16)20(24)23-21-22-12-13-27-21/h8-13,16,19H,2-7,14-15H2,1H3,(H,22,23,24).
What are the key properties of 2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide?
2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 420.60 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22315127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).