(E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide

C22H19NO3S — CID 101014458

IUPAC(E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19NO3S/c24-22(17-16-19-10-4-1-5-11-19)23(18-20-12-6-2-7-13-20)27(25,26)21-14-8-3-9-15-21/h1-17H,18H2/b17-16+
InChIKeyJAMVLPWMOBVUKV-WUKNDPDISA-N
MW377.47 g/mol
LogP4.12
Rot. Bonds6

About (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide

(E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide (PubChem CID 101014458) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide
PubChem CID101014458
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name(E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19NO3S/c24-22(17-16-19-10-4-1-5-11-19)23(18-20-12-6-2-7-13-20)27(25,26)21-14-8-3-9-15-21/h1-17H,18H2/b17-16+
InChIKeyJAMVLPWMOBVUKV-WUKNDPDISA-N
XLogP4.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
N-(benzenesulfonyl)-N-[(E)-1-[benzyl(methylsulfonyl)amino]-2-phenylethenyl]benzenesulfonamide
CID 122208301
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
CID 11077226
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459
N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
(E)-N-(benzenesulfonyl)-3-(4-chlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211863
(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 42773296

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide (CID 101014458) is (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide?
The InChIKey is JAMVLPWMOBVUKV-WUKNDPDISA-N. The full InChI is InChI=1S/C22H19NO3S/c24-22(17-16-19-10-4-1-5-11-19)23(18-20-12-6-2-7-13-20)27(25,26)21-14-8-3-9-15-21/h1-17H,18H2/b17-16+.
What are the key properties of (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide?
(E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide has a molecular weight of 377.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide is sourced from PubChem (CID 101014458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).