2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

C23H25ClN4O3S2 — CID 22197069

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1C
InChIInChI=1S/C23H25ClN4O3S2/c1-16-3-4-18(13-17(16)2)21-15-32-23(25-21)26-22(29)14-27-9-11-28(12-10-27)33(30,31)20-7-5-19(24)6-8-20/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29)
InChIKeyAATJLPRPLOSQHC-UHFFFAOYSA-N
MW505.07 g/mol
LogP4.03
Rot. Bonds6

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

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 22197069) has the molecular formula C23H25ClN4O3S2 and a molecular weight of 505.07 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID22197069
Molecular FormulaC23H25ClN4O3S2
Molecular Weight505.07 g/mol
Exact Mass504.11
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1C
InChIInChI=1S/C23H25ClN4O3S2/c1-16-3-4-18(13-17(16)2)21-15-32-23(25-21)26-22(29)14-27-9-11-28(12-10-27)33(30,31)20-7-5-19(24)6-8-20/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29)
InChIKeyAATJLPRPLOSQHC-UHFFFAOYSA-N
XLogP4.03
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.07
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 22197140
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22197615
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1191189
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195094
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22199238
1-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16827220
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
2-(4-benzylpiperazin-1-yl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198171
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22195400
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 22197069) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1C.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is AATJLPRPLOSQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S2/c1-16-3-4-18(13-17(16)2)21-15-32-23(25-21)26-22(29)14-27-9-11-28(12-10-27)33(30,31)20-7-5-19(24)6-8-20/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 505.07 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22197069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).