(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide

C21H24ClN3O3S — CID 41349770

IUPAC(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClN3O3S/c22-19-8-4-5-9-20(19)24-13-15-25(16-14-24)29(27,28)17-12-23-21(26)11-10-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,23,26)/b11-10-
InChIKeyLRUYRORAYYSVQP-KHPPLWFESA-N
MW433.96 g/mol
LogP2.62
Rot. Bonds7

About (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide

(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide (PubChem CID 41349770) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide
PubChem CID41349770
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClN3O3S/c22-19-8-4-5-9-20(19)24-13-15-25(16-14-24)29(27,28)17-12-23-21(26)11-10-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,23,26)/b11-10-
InChIKeyLRUYRORAYYSVQP-KHPPLWFESA-N
XLogP2.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide
CID 41349699
3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
CID 41349722
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
CID 44961271
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide
CID 41349840
N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-3-phenylprop-2-enamide
CID 71962180
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-3-(5-bromothiophen-2-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide
CID 55962042
3-[3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoyl chloride
CID 91178970
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]prop-2-enamide
CID 18565424
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide (CID 41349770) is (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide is O=C(/C=C\c1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide?
The InChIKey is LRUYRORAYYSVQP-KHPPLWFESA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c22-19-8-4-5-9-20(19)24-13-15-25(16-14-24)29(27,28)17-12-23-21(26)11-10-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,23,26)/b11-10-.
What are the key properties of (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide?
(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide has a molecular weight of 433.96 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 41349770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).