2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

C17H25ClN4O4S — CID 8757875

IUPAC2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4O4S/c1-13(2)11-19-17(24)20-16(23)12-21-6-8-22(9-7-21)27(25,26)15-5-3-4-14(18)10-15/h3-5,10,13H,6-9,11-12H2,1-2H3,(H2,19,20,23,24)
InChIKeyXHRRLXLMPFGPSQ-UHFFFAOYSA-N
MW416.93 g/mol
LogP1.13
Rot. Bonds6

About 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 8757875) has the molecular formula C17H25ClN4O4S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID8757875
Molecular FormulaC17H25ClN4O4S
Molecular Weight416.93 g/mol
Exact Mass416.13
IUPAC Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4O4S/c1-13(2)11-19-17(24)20-16(23)12-21-6-8-22(9-7-21)27(25,26)15-5-3-4-14(18)10-15/h3-5,10,13H,6-9,11-12H2,1-2H3,(H2,19,20,23,24)
InChIKeyXHRRLXLMPFGPSQ-UHFFFAOYSA-N
XLogP1.13
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9304405
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55354596
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8744306
1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
CID 163331804
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 9349010
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8690942
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9349024
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 27185871
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8758035
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9349018
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46560526
N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27185823

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (CID 8757875) is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is XHRRLXLMPFGPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O4S/c1-13(2)11-19-17(24)20-16(23)12-21-6-8-22(9-7-21)27(25,26)15-5-3-4-14(18)10-15/h3-5,10,13H,6-9,11-12H2,1-2H3,(H2,19,20,23,24).
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 416.93 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 8757875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).