3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide

C22H30N4O3S2 — CID 141167514

IUPAC3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(CC3CCCC3)C(=O)Nc3nccs3)cc2)CC1
InChIInChI=1S/C22H30N4O3S2/c1-25-11-13-26(14-12-25)31(28,29)19-8-6-18(7-9-19)20(16-17-4-2-3-5-17)21(27)24-22-23-10-15-30-22/h6-10,15,17,20H,2-5,11-14,16H2,1H3,(H,23,24,27)
InChIKeyISIMCYBKPWVJOQ-UHFFFAOYSA-N
MW462.64 g/mol
LogP3.38
Rot. Bonds7

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

3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 141167514) has the molecular formula C22H30N4O3S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID141167514
Molecular FormulaC22H30N4O3S2
Molecular Weight462.64 g/mol
Exact Mass462.18
IUPAC Name3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(CC3CCCC3)C(=O)Nc3nccs3)cc2)CC1
InChIInChI=1S/C22H30N4O3S2/c1-25-11-13-26(14-12-25)31(28,29)19-8-6-18(7-9-19)20(16-17-4-2-3-5-17)21(27)24-22-23-10-15-30-22/h6-10,15,17,20H,2-5,11-14,16H2,1H3,(H,23,24,27)
InChIKeyISIMCYBKPWVJOQ-UHFFFAOYSA-N
XLogP3.38
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-2-[4-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 174556459
2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
(2R)-3-cyclopentyl-N-(5-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 87541932
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
(2R)-3-cyclopentyl-N-[5-(2-methoxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 87541743
(2R)-N-(5-benzyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 87541958
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide (CID 141167514) is 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide is CN1CCN(S(=O)(=O)c2ccc(C(CC3CCCC3)C(=O)Nc3nccs3)cc2)CC1.
What is the InChIKey of 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ISIMCYBKPWVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S2/c1-25-11-13-26(14-12-25)31(28,29)19-8-6-18(7-9-19)20(16-17-4-2-3-5-17)21(27)24-22-23-10-15-30-22/h6-10,15,17,20H,2-5,11-14,16H2,1H3,(H,23,24,27).
What are the key properties of 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 462.64 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 141167514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).