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

C24H26N2O3S — CID 43885797

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H26N2O3S/c1-17-10-15-23(18(2)16-17)19(3)25-24(27)20-11-13-21(14-12-20)26(4)30(28,29)22-8-6-5-7-9-22/h5-16,19H,1-4H3,(H,25,27)
InChIKeyBOROSTLGWSYLFG-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.62
Rot. Bonds6

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

4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide (PubChem CID 43885797) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
PubChem CID43885797
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H26N2O3S/c1-17-10-15-23(18(2)16-17)19(3)25-24(27)20-11-13-21(14-12-20)26(4)30(28,29)22-8-6-5-7-9-22/h5-16,19H,1-4H3,(H,25,27)
InChIKeyBOROSTLGWSYLFG-UHFFFAOYSA-N
XLogP4.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 125043107
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 132674498
2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94018481
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
N-[1-(2,4-difluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55337082
4-(benzenesulfonamido)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methylbenzamide
CID 92684420
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 43906009
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide (CID 43885797) is 4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The InChIKey is BOROSTLGWSYLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-10-15-23(18(2)16-17)19(3)25-24(27)20-11-13-21(14-12-20)26(4)30(28,29)22-8-6-5-7-9-22/h5-16,19H,1-4H3,(H,25,27).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 43885797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).