(E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide

C22H19NO3S — CID 51050070

IUPAC(E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide
SMILESCN(C(=O)/C=C(\c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3S/c1-23(19-13-7-3-8-14-19)22(24)17-21(18-11-5-2-6-12-18)27(25,26)20-15-9-4-10-16-20/h2-17H,1H3/b21-17+
InChIKeyKQMYBMZUBAZUSP-HEHNFIMWSA-N
MW377.47 g/mol
LogP4.16
Rot. Bonds5

About (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide

(E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide (PubChem CID 51050070) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide
PubChem CID51050070
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name(E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide
SMILESCN(C(=O)/C=C(\c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3S/c1-23(19-13-7-3-8-14-19)22(24)17-21(18-11-5-2-6-12-18)27(25,26)20-15-9-4-10-16-20/h2-17H,1H3/b21-17+
InChIKeyKQMYBMZUBAZUSP-HEHNFIMWSA-N
XLogP4.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.16
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

N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
N-benzyl-2-methylsulfonyl-N-phenylbenzamide
CID 8892628
1-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 10001441
1-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 10319221
2-(4-(Methylsulfonyl)phenyl)-3-phenylthiazolidin-4-one
CID 10359484
3-(4-Fluorophenyl)-2-(4-(methylsulfonyl)phenyl)thiazolidin-4-one
CID 10405693
(E)-N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide
CID 15049712
(E)-N-methyl-3-(4-methylsulfonylphenyl)-N-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 15049713
(E)-N-[4-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]phenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide
CID 15049714
4-(4-Methanesulfonyl-phenyl)-3-phenyl-1-(4-trifluoromethyl-phenyl)-1,5-dihydro-pyrrol-2-one
CID 44293478
4-(4-Methanesulfonyl-phenyl)-3-phenyl-1-p-tolyl-1,5-dihydro-pyrrol-2-one
CID 44293738
4-(4-Methanesulfonyl-phenyl)-1,3-diphenyl-1,5-dihydro-pyrrol-2-one
CID 44293755

Frequently Asked Questions

What is the IUPAC name of (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide?
The IUPAC name of (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide (CID 51050070) is (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide is CN(C(=O)/C=C(\c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide?
The InChIKey is KQMYBMZUBAZUSP-HEHNFIMWSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-23(19-13-7-3-8-14-19)22(24)17-21(18-11-5-2-6-12-18)27(25,26)20-15-9-4-10-16-20/h2-17H,1H3/b21-17+.
What are the key properties of (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide?
(E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide has a molecular weight of 377.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(benzenesulfonyl)-N-methyl-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 51050070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).