2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide

C22H33N3O3S — CID 18196363

IUPAC2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O3S/c1-17(22(26)23-20-9-10-20)24-13-15-25(16-14-24)29(27,28)21-11-7-19(8-12-21)18-5-3-2-4-6-18/h7-8,11-12,17-18,20H,2-6,9-10,13-16H2,1H3,(H,23,26)
InChIKeyPHVIEZLMSGBPTM-UHFFFAOYSA-N
MW419.59 g/mol
LogP2.71
Rot. Bonds6

About 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide

2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 18196363) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID18196363
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H33N3O3S/c1-17(22(26)23-20-9-10-20)24-13-15-25(16-14-24)29(27,28)21-11-7-19(8-12-21)18-5-3-2-4-6-18/h7-8,11-12,17-18,20H,2-6,9-10,13-16H2,1H3,(H,23,26)
InChIKeyPHVIEZLMSGBPTM-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9442944
(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 30796038
(2R)-N-cyclopropyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8710306
2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 24682385
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8743246
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 8512767
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 119687160
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide (CID 18196363) is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is PHVIEZLMSGBPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-17(22(26)23-20-9-10-20)24-13-15-25(16-14-24)29(27,28)21-11-7-19(8-12-21)18-5-3-2-4-6-18/h7-8,11-12,17-18,20H,2-6,9-10,13-16H2,1H3,(H,23,26).
What are the key properties of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 419.59 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 18196363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).