N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide

C23H24N2O3S — CID 100786033

IUPACN-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H24N2O3S/c1-3-29(27,28)25(2)21-16-10-15-20(17-21)23(26)24-22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-17,22H,3H2,1-2H3,(H,24,26)
InChIKeyOHRFFLYXJWDMHT-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.99
Rot. Bonds7

About N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide

N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide (PubChem CID 100786033) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide
PubChem CID100786033
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H24N2O3S/c1-3-29(27,28)25(2)21-16-10-15-20(17-21)23(26)24-22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-17,22H,3H2,1-2H3,(H,24,26)
InChIKeyOHRFFLYXJWDMHT-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 95119363
3-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)benzamide
CID 100785734
N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100785831
N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150400
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 46433526
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
3-bromo-N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]benzamide
CID 44765435
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
N-[(1R)-1-(4-ethylphenyl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100758583
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide?
The IUPAC name of N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide (CID 100786033) is N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide is CCS(=O)(=O)N(C)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide?
The InChIKey is OHRFFLYXJWDMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-29(27,28)25(2)21-16-10-15-20(17-21)23(26)24-22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-17,22H,3H2,1-2H3,(H,24,26).
What are the key properties of N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide?
N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide has a molecular weight of 408.52 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 100786033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).