2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide

C20H29ClN4O4S — CID 55354584

IUPAC2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H29ClN4O4S/c1-15(19(26)23-20(27)22-17-7-3-2-4-8-17)24-10-12-25(13-11-24)30(28,29)18-9-5-6-16(21)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H2,22,23,26,27)
InChIKeyMJGJPFREMLKQMJ-UHFFFAOYSA-N
MW457.00 g/mol
LogP2.19
Rot. Bonds5

About 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide

2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 55354584) has the molecular formula C20H29ClN4O4S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
PubChem CID55354584
Molecular FormulaC20H29ClN4O4S
Molecular Weight457.00 g/mol
Exact Mass456.16
IUPAC Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H29ClN4O4S/c1-15(19(26)23-20(27)22-17-7-3-2-4-8-17)24-10-12-25(13-11-24)30(28,29)18-9-5-6-16(21)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H2,22,23,26,27)
InChIKeyMJGJPFREMLKQMJ-UHFFFAOYSA-N
XLogP2.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 8512767
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8743246
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493597
(2R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8757891
N-(cyclopentylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propanamide
CID 46650122
(2R)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066636
(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066635
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 41103121
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
4-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperazine-1-carbothioamide
CID 8745764
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8704500
N-benzhydryl-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 71903436

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide (CID 55354584) is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide is CC(C(=O)NC(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is MJGJPFREMLKQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O4S/c1-15(19(26)23-20(27)22-17-7-3-2-4-8-17)24-10-12-25(13-11-24)30(28,29)18-9-5-6-16(21)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H2,22,23,26,27).
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide?
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide has a molecular weight of 457.00 g/mol, XLogP of 2.19, 5 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-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 55354584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).