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

C29H26N2O3S — CID 3357015

IUPACN-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H26N2O3S/c1-2-21-31(26-18-10-5-11-19-26)35(33,34)27-20-12-17-25(22-27)29(32)30-28(23-13-6-3-7-14-23)24-15-8-4-9-16-24/h2-20,22,28H,1,21H2,(H,30,32)
InChIKeyBYBODSIOAQFASQ-UHFFFAOYSA-N
MW482.61 g/mol
LogP5.59
Rot. Bonds9

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

N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 3357015) has the molecular formula C29H26N2O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID3357015
Molecular FormulaC29H26N2O3S
Molecular Weight482.61 g/mol
Exact Mass482.17
IUPAC NameN-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H26N2O3S/c1-2-21-31(26-18-10-5-11-19-26)35(33,34)27-20-12-17-25(22-27)29(32)30-28(23-13-6-3-7-14-23)24-15-8-4-9-16-24/h2-20,22,28H,1,21H2,(H,30,32)
InChIKeyBYBODSIOAQFASQ-UHFFFAOYSA-N
XLogP5.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.59
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-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
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
N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 24980717
N-(4-ethoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4799866
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 41291988
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2595774
(4-benzoylphenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 3263241
3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 55461455
(4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2667184
2-[[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2119777

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 3357015) is N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is BYBODSIOAQFASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3S/c1-2-21-31(26-18-10-5-11-19-26)35(33,34)27-20-12-17-25(22-27)29(32)30-28(23-13-6-3-7-14-23)24-15-8-4-9-16-24/h2-20,22,28H,1,21H2,(H,30,32).
What are the key properties of N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 482.61 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 3357015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).