(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

C23H33N3O3S — CID 8689455

IUPAC(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCCC1=CCCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H33N3O3S/c1-20(23(27)24-14-12-21-8-4-2-5-9-21)25-15-17-26(18-16-25)30(28,29)19-13-22-10-6-3-7-11-22/h3,6-8,10-11,13,19-20H,2,4-5,9,12,14-18H2,1H3,(H,24,27)/b19-13+/t20-/m1/s1
InChIKeySCJMAAXZMILAGS-UMSHPIDHSA-N
MW431.60 g/mol
LogP3.00
Rot. Bonds8

About (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide (PubChem CID 8689455) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
PubChem CID8689455
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCCC1=CCCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H33N3O3S/c1-20(23(27)24-14-12-21-8-4-2-5-9-21)25-15-17-26(18-16-25)30(28,29)19-13-22-10-6-3-7-11-22/h3,6-8,10-11,13,19-20H,2,4-5,9,12,14-18H2,1H3,(H,24,27)/b19-13+/t20-/m1/s1
InChIKeySCJMAAXZMILAGS-UMSHPIDHSA-N
XLogP3.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide with MolForge

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Related Compounds

(2R)-2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8596856
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CID 32753435
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748577
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95610834
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 55430579
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 55352300
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 134045449
(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1221490
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984167
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
CID 95750296

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide (CID 8689455) is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide is C[C@H](C(=O)NCCC1=CCCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The InChIKey is SCJMAAXZMILAGS-UMSHPIDHSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-20(23(27)24-14-12-21-8-4-2-5-9-21)25-15-17-26(18-16-25)30(28,29)19-13-22-10-6-3-7-11-22/h3,6-8,10-11,13,19-20H,2,4-5,9,12,14-18H2,1H3,(H,24,27)/b19-13+/t20-/m1/s1.
What are the key properties of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide has a molecular weight of 431.60 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 8689455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).