2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide

C16H23ClN4O4S — CID 46563112

IUPAC2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN4O4S/c1-3-18-16(23)19-15(22)12(2)20-8-10-21(11-9-20)26(24,25)14-7-5-4-6-13(14)17/h4-7,12H,3,8-11H2,1-2H3,(H2,18,19,22,23)
InChIKeyWQSIYAJAUXEXDA-UHFFFAOYSA-N
MW402.90 g/mol
LogP0.88
Rot. Bonds5

About 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide

2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide (PubChem CID 46563112) has the molecular formula C16H23ClN4O4S and a molecular weight of 402.90 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
PubChem CID46563112
Molecular FormulaC16H23ClN4O4S
Molecular Weight402.90 g/mol
Exact Mass402.11
IUPAC Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN4O4S/c1-3-18-16(23)19-15(22)12(2)20-8-10-21(11-9-20)26(24,25)14-7-5-4-6-13(14)17/h4-7,12H,3,8-11H2,1-2H3,(H2,18,19,22,23)
InChIKeyWQSIYAJAUXEXDA-UHFFFAOYSA-N
XLogP0.88
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
CID 8693885
(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8711871
(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide
CID 94418975
(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide
CID 8599567
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493537
(2S)-N-propyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493459
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55526129
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 24507059
N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
CID 47073336
2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 87017625

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide (CID 46563112) is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
The InChIKey is WQSIYAJAUXEXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O4S/c1-3-18-16(23)19-15(22)12(2)20-8-10-21(11-9-20)26(24,25)14-7-5-4-6-13(14)17/h4-7,12H,3,8-11H2,1-2H3,(H2,18,19,22,23).
What are the key properties of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide has a molecular weight of 402.90 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 46563112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).