3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C22H23ClN4O3S2 — CID 155553380

IUPAC3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H23ClN4O3S2/c23-18-6-8-19(9-7-18)32(29,30)27-14-12-26(13-15-27)11-10-21(28)25-22-24-20(16-31-22)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,24,25,28)
InChIKeyOVXSRFUHCKYQMQ-UHFFFAOYSA-N
MW491.04 g/mol
LogP3.80
Rot. Bonds7

About 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 155553380) has the molecular formula C22H23ClN4O3S2 and a molecular weight of 491.04 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID155553380
Molecular FormulaC22H23ClN4O3S2
Molecular Weight491.04 g/mol
Exact Mass490.09
IUPAC Name3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H23ClN4O3S2/c23-18-6-8-19(9-7-18)32(29,30)27-14-12-26(13-15-27)11-10-21(28)25-22-24-20(16-31-22)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,24,25,28)
InChIKeyOVXSRFUHCKYQMQ-UHFFFAOYSA-N
XLogP3.80
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.04
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

TJ-M2010-5
CID 71542350
1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2997727
1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 4114795
3-(4-chlorobenzenesulfonyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]propanamide
CID 22581363
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-piperidinoacetamide
CID 334415
2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide
CID 70680646
N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 70680649
N-(4-{4-[(4-methylpiperidyl)sulfonyl]phenyl}-1,3-thiazol-2-yl)pentanamide
CID 70680661
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 70680669
3-[(4-methyl-1-piperazinyl)sulfonyl]-N-(4-phenyl-2-thiazolyl)benzamide
CID 2390608
1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 2998748
3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 17154150

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 155553380) is 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OVXSRFUHCKYQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S2/c23-18-6-8-19(9-7-18)32(29,30)27-14-12-26(13-15-27)11-10-21(28)25-22-24-20(16-31-22)17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,24,25,28).
What are the key properties of 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 491.04 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 155553380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).