(NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide

C20H22ClNO2S — CID 135021377

IUPAC(NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(/C=C/C(=N/[S@@](=O)C(C)(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO2S/c1-20(2,3)25(23)22-19(16-8-10-17(21)11-9-16)14-7-15-5-12-18(24-4)13-6-15/h5-14H,1-4H3/b14-7+,22-19-/t25-/m0/s1
InChIKeyJWVCTEWBUDNYKL-WNPCJJSHSA-N
MW375.92 g/mol
LogP5.31
Rot. Bonds5

About (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide

(NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide (PubChem CID 135021377) has the molecular formula C20H22ClNO2S and a molecular weight of 375.92 g/mol. Its IUPAC name is (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide
PubChem CID135021377
Molecular FormulaC20H22ClNO2S
Molecular Weight375.92 g/mol
Exact Mass375.11
IUPAC Name(NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(/C=C/C(=N/[S@@](=O)C(C)(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO2S/c1-20(2,3)25(23)22-19(16-8-10-17(21)11-9-16)14-7-15-5-12-18(24-4)13-6-15/h5-14H,1-4H3/b14-7+,22-19-/t25-/m0/s1
InChIKeyJWVCTEWBUDNYKL-WNPCJJSHSA-N
XLogP5.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.92
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide (CID 135021377) is (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide is COc1ccc(/C=C/C(=N/[S@@](=O)C(C)(C)C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is JWVCTEWBUDNYKL-WNPCJJSHSA-N. The full InChI is InChI=1S/C20H22ClNO2S/c1-20(2,3)25(23)22-19(16-8-10-17(21)11-9-16)14-7-15-5-12-18(24-4)13-6-15/h5-14H,1-4H3/b14-7+,22-19-/t25-/m0/s1.
What are the key properties of (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide?
(NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 375.92 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,S)-N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135021377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).