N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

C22H33N3O3S — CID 6223916

IUPACN-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H33N3O3S/c1-19(22(26)23-18-21-10-6-3-7-11-21)24-13-15-25(16-14-24)29(27,28)17-12-20-8-4-2-5-9-20/h2,4-5,8-9,12,17,19,21H,3,6-7,10-11,13-16,18H2,1H3,(H,23,26)/b17-12+
InChIKeyKWKITYGQKWETFY-SFQUDFHCSA-N
MW419.59 g/mol
LogP2.69
Rot. Bonds7

About N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide (PubChem CID 6223916) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
PubChem CID6223916
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H33N3O3S/c1-19(22(26)23-18-21-10-6-3-7-11-21)24-13-15-25(16-14-24)29(27,28)17-12-20-8-4-2-5-9-20/h2,4-5,8-9,12,17,19,21H,3,6-7,10-11,13-16,18H2,1H3,(H,23,26)/b17-12+
InChIKeyKWKITYGQKWETFY-SFQUDFHCSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ac-hPhe-Leu-Ala-LeuVSMe
CID 11556056
Ac-hPhe-Leu-Phe-LeuVSMe
CID 11693148
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CID 2236744
(S)-1-((R)-2-Methanesulfonylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CID 10789732
N-(4-Amino-cyclohexylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44283905
Ac-hPhe-Leu-Gly-LeuVSMe
CID 11713852
N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 963779
N-[2-(4-Ethyl-piperazin-1-yl)-2-oxo-ethyl]-N-phenethyl-methanesulfonamide
CID 1093324
N~1~-ethyl-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 2219097
N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)-N~1~-propylglycinamide
CID 2222479
N~1~-isopropyl-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 2228569
N-{3-[benzyl(isopropyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236804

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide (CID 6223916) is N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide is CC(C(=O)NCC1CCCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The InChIKey is KWKITYGQKWETFY-SFQUDFHCSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-19(22(26)23-18-21-10-6-3-7-11-21)24-13-15-25(16-14-24)29(27,28)17-12-20-8-4-2-5-9-20/h2,4-5,8-9,12,17,19,21H,3,6-7,10-11,13-16,18H2,1H3,(H,23,26)/b17-12+.
What are the key properties of N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide has a molecular weight of 419.59 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 6223916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).