N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C24H24N2O3S — CID 16547658

IUPACN-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C24H24N2O3S/c1-2-18-26(22-13-7-4-8-14-22)30(28,29)23-15-9-12-21(19-23)24(27)25-17-16-20-10-5-3-6-11-20/h2-15,19H,1,16-18H2,(H,25,27)
InChIKeyKTQROHQPHJMARB-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.04
Rot. Bonds9

About N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 16547658) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID16547658
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C24H24N2O3S/c1-2-18-26(22-13-7-4-8-14-22)30(28,29)23-15-9-12-21(19-23)24(27)25-17-16-20-10-5-3-6-11-20/h2-15,19H,1,16-18H2,(H,25,27)
InChIKeyKTQROHQPHJMARB-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 41291988
4-oxo-N-(2-phenylethyl)-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 5210879
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 24980717
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2600003
N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2082409
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55889436
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16552544

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 16547658) is N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is KTQROHQPHJMARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-2-18-26(22-13-7-4-8-14-22)30(28,29)23-15-9-12-21(19-23)24(27)25-17-16-20-10-5-3-6-11-20/h2-15,19H,1,16-18H2,(H,25,27).
What are the key properties of N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 420.53 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 16547658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).