N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

C22H33N3O3S — CID 97427429

IUPACN-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C22H33N3O3S/c1-2-25(21-11-7-4-8-12-21)22(26)19-23-14-16-24(17-15-23)29(27,28)18-13-20-9-5-3-6-10-20/h3,5-6,9-10,13,18,21H,2,4,7-8,11-12,14-17,19H2,1H3/b18-13-
InChIKeyYKRKAWVFBKWPKE-AQTBWJFISA-N
MW419.59 g/mol
LogP2.79
Rot. Bonds7

About N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 97427429) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID97427429
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C22H33N3O3S/c1-2-25(21-11-7-4-8-12-21)22(26)19-23-14-16-24(17-15-23)29(27,28)18-13-20-9-5-3-6-10-20/h3,5-6,9-10,13,18,21H,2,4,7-8,11-12,14-17,19H2,1H3/b18-13-
InChIKeyYKRKAWVFBKWPKE-AQTBWJFISA-N
XLogP2.79
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553828
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
CID 75194953
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8689395
2-ethoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496780
N-(3,5-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 2655992
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
2-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917291
(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8689701

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (CID 97427429) is N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is YKRKAWVFBKWPKE-AQTBWJFISA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-2-25(21-11-7-4-8-12-21)22(26)19-23-14-16-24(17-15-23)29(27,28)18-13-20-9-5-3-6-10-20/h3,5-6,9-10,13,18,21H,2,4,7-8,11-12,14-17,19H2,1H3/b18-13-.
What are the key properties of N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 419.59 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 97427429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).