4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide

C26H28N2O3S — CID 132674498

IUPAC4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESC=CCN(c1ccc(C(=O)NC(C)c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H28N2O3S/c1-5-17-28(32(30,31)24-9-7-6-8-10-24)23-14-12-22(13-15-23)26(29)27-21(4)25-16-11-19(2)18-20(25)3/h5-16,18,21H,1,17H2,2-4H3,(H,27,29)
InChIKeyVDEVGWINHZPMFQ-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.18
Rot. Bonds8

About 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide

4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide (PubChem CID 132674498) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
PubChem CID132674498
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESC=CCN(c1ccc(C(=O)NC(C)c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H28N2O3S/c1-5-17-28(32(30,31)24-9-7-6-8-10-24)23-14-12-22(13-15-23)26(29)27-21(4)25-16-11-19(2)18-20(25)3/h5-16,18,21H,1,17H2,2-4H3,(H,27,29)
InChIKeyVDEVGWINHZPMFQ-UHFFFAOYSA-N
XLogP5.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.18
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

4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94018481
4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 43885797
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 43906009
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30211773
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2600003
2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94015821
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 125043107
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30252272
2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178
4-(benzenesulfonamido)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methylbenzamide
CID 92684420
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide
CID 92644415
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide (CID 132674498) is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide is C=CCN(c1ccc(C(=O)NC(C)c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The InChIKey is VDEVGWINHZPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-5-17-28(32(30,31)24-9-7-6-8-10-24)23-14-12-22(13-15-23)26(29)27-21(4)25-16-11-19(2)18-20(25)3/h5-16,18,21H,1,17H2,2-4H3,(H,27,29).
What are the key properties of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide has a molecular weight of 448.59 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 132674498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).