(Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide

C20H23NO2S — CID 5470812

IUPAC(Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)/C=C\S(=O)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-20(2,3)21(16-17-10-6-4-7-11-17)19(22)14-15-24(23)18-12-8-5-9-13-18/h4-15H,16H2,1-3H3/b15-14-
InChIKeyADHHICUYPKOBSF-PFONDFGASA-N
MW341.48 g/mol
LogP4.14
Rot. Bonds5

About (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide

(Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide (PubChem CID 5470812) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide
PubChem CID5470812
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)/C=C\S(=O)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-20(2,3)21(16-17-10-6-4-7-11-17)19(22)14-15-24(23)18-12-8-5-9-13-18/h4-15H,16H2,1-3H3/b15-14-
InChIKeyADHHICUYPKOBSF-PFONDFGASA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide?
The IUPAC name of (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide (CID 5470812) is (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide.
What is the SMILES notation for (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide?
The canonical SMILES for (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide is CC(C)(C)N(Cc1ccccc1)C(=O)/C=C\S(=O)c1ccccc1.
What is the InChIKey of (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide?
The InChIKey is ADHHICUYPKOBSF-PFONDFGASA-N. The full InChI is InChI=1S/C20H23NO2S/c1-20(2,3)21(16-17-10-6-4-7-11-17)19(22)14-15-24(23)18-12-8-5-9-13-18/h4-15H,16H2,1-3H3/b15-14-.
What are the key properties of (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide?
(Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide has a molecular weight of 341.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(benzenesulfinyl)-N-benzyl-N-tert-butylprop-2-enamide is sourced from PubChem (CID 5470812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).