N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide

C23H24N2O3S — CID 55358303

IUPACN-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCc1ccccc1N(CC(=O)N(Cc1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O3S/c1-19-11-9-10-16-22(19)25(29(2,27)28)18-23(26)24(21-14-7-4-8-15-21)17-20-12-5-3-6-13-20/h3-16H,17-18H2,1-2H3
InChIKeyZTKSOXDFBGWIRA-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.99
Rot. Bonds7

About N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide

N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide (PubChem CID 55358303) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
PubChem CID55358303
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCc1ccccc1N(CC(=O)N(Cc1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O3S/c1-19-11-9-10-16-22(19)25(29(2,27)28)18-23(26)24(21-14-7-4-8-15-21)17-20-12-5-3-6-13-20/h3-16H,17-18H2,1-2H3
InChIKeyZTKSOXDFBGWIRA-UHFFFAOYSA-N
XLogP3.99
TPSA57.69 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-tert-butyl-3-phenylpropanamide
CID 133146501
(2R)-2-[benzyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-tert-butyl-3-phenylpropanamide
CID 125110819
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 55400580
(2S)-2-[benzyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]-3-phenylpropanamide
CID 125100845
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide
CID 113161511
[2-(benzylamino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508416
(2R)-2-[benzyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100524187
(2R)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 125065191
(2R)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 125047159
N-methyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132669387
N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55726000

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide (CID 55358303) is N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide is Cc1ccccc1N(CC(=O)N(Cc1ccccc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide?
The InChIKey is ZTKSOXDFBGWIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-19-11-9-10-16-22(19)25(29(2,27)28)18-23(26)24(21-14-7-4-8-15-21)17-20-12-5-3-6-13-20/h3-16H,17-18H2,1-2H3.
What are the key properties of N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide?
N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide has a molecular weight of 408.52 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide is sourced from PubChem (CID 55358303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).