(E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide

C24H23NO3S — CID 101100963

IUPAC(E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide
SMILESO=CC(Cc1ccccc1)N(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H23NO3S/c26-20-24(18-22-12-6-2-7-13-22)25(19-23-14-8-3-9-15-23)29(27,28)17-16-21-10-4-1-5-11-21/h1-17,20,24H,18-19H2/b17-16+
InChIKeyUZBQKAWQTQGQBT-WUKNDPDISA-N
MW405.52 g/mol
LogP4.30
Rot. Bonds9

About (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide

(E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide (PubChem CID 101100963) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide
PubChem CID101100963
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name(E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide
SMILESO=CC(Cc1ccccc1)N(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H23NO3S/c26-20-24(18-22-12-6-2-7-13-22)25(19-23-14-8-3-9-15-23)29(27,28)17-16-21-10-4-1-5-11-21/h1-17,20,24H,18-19H2/b17-16+
InChIKeyUZBQKAWQTQGQBT-WUKNDPDISA-N
XLogP4.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide
CID 52697174
2-(dimethylamino)-3-phenylpropanal
CID 19361863
methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 140983317
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide
CID 4193810
N-(furan-2-ylmethyl)-2-phenyl-N-(2-phenylethyl)ethenesulfonamide
CID 1058730
2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide
CID 3594949
ethyl 2-[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]acetate
CID 61022884
(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid
CID 706131
(E)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-propan-2-ylethenesulfonamide
CID 6307053
(2S)-2-(dibenzylamino)-5-methylhexanal
CID 11461035
(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
CID 13264624
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide (CID 101100963) is (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide is O=CC(Cc1ccccc1)N(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide?
The InChIKey is UZBQKAWQTQGQBT-WUKNDPDISA-N. The full InChI is InChI=1S/C24H23NO3S/c26-20-24(18-22-12-6-2-7-13-22)25(19-23-14-8-3-9-15-23)29(27,28)17-16-21-10-4-1-5-11-21/h1-17,20,24H,18-19H2/b17-16+.
What are the key properties of (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide?
(E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 101100963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).