2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide

C23H24N2O4S — CID 1107753

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O4S/c1-3-29-22-16-10-8-14-20(22)24-23(26)19-13-7-9-15-21(19)25(30(2,27)28)17-18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyKEWDQZJVFSVEJO-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.30
Rot. Bonds8

About 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide

2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide (PubChem CID 1107753) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
PubChem CID1107753
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O4S/c1-3-29-22-16-10-8-14-20(22)24-23(26)19-13-7-9-15-21(19)25(30(2,27)28)17-18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyKEWDQZJVFSVEJO-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
CID 1298465
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethoxyphenyl)-4,5-dimethoxybenzamide
CID 30151606
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide
CID 53287155
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287447
2-[benzyl(methylsulfonyl)amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771335
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide
CID 53287187

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide (CID 1107753) is 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide?
The InChIKey is KEWDQZJVFSVEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-3-29-22-16-10-8-14-20(22)24-23(26)19-13-7-9-15-21(19)25(30(2,27)28)17-18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide?
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide has a molecular weight of 424.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 1107753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).