N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C24H24N2O3S — CID 2600003

IUPACN-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C24H24N2O3S/c1-4-15-26(21-10-6-5-7-11-21)30(28,29)22-12-8-9-20(17-22)24(27)25-23-14-13-18(2)16-19(23)3/h4-14,16-17H,1,15H2,2-3H3,(H,25,27)
InChIKeyQOKRPPIYGNMOIP-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.94
Rot. Bonds7

About N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 2600003) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID2600003
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C24H24N2O3S/c1-4-15-26(21-10-6-5-7-11-21)30(28,29)22-12-8-9-20(17-22)24(27)25-23-14-13-18(2)16-19(23)3/h4-14,16-17H,1,15H2,2-3H3,(H,25,27)
InChIKeyQOKRPPIYGNMOIP-UHFFFAOYSA-N
XLogP4.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.94
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-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2082409
N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 26524233
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
N-(4-ethoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4799866
N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 24980717
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide
CID 8001344
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 41291988
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 132674498
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-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 2600003) is N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is QOKRPPIYGNMOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-4-15-26(21-10-6-5-7-11-21)30(28,29)22-12-8-9-20(17-22)24(27)25-23-14-13-18(2)16-19(23)3/h4-14,16-17H,1,15H2,2-3H3,(H,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 420.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 2600003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).