N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide

C25H28N2O4S — CID 66715123

IUPACN-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide
SMILESCCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2OC)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C25H28N2O4S/c1-5-32(29,30)27(22-15-10-18(2)19(3)16-22)17-20-11-13-21(14-12-20)26-25(28)23-8-6-7-9-24(23)31-4/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyRMBMXMUQQRPZCG-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.92
Rot. Bonds8

About N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide

N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide (PubChem CID 66715123) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide
PubChem CID66715123
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide
SMILESCCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2OC)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C25H28N2O4S/c1-5-32(29,30)27(22-15-10-18(2)19(3)16-22)17-20-11-13-21(14-12-20)26-25(28)23-8-6-7-9-24(23)31-4/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyRMBMXMUQQRPZCG-UHFFFAOYSA-N
XLogP4.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-4-methoxybenzamide
CID 66715152
N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-4-fluorobenzamide
CID 66715266
4-[(3,4-dimethyl-N-propylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
CID 56832585
2-chloro-N-[4-[(3,4-dimethyl-N-propan-2-ylsulfonylanilino)methyl]phenyl]benzamide
CID 66714833
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
CID 66715371
N-[4-(N-ethylanilino)phenyl]-2-methoxybenzamide
CID 112986547
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide
CID 56832954
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]-4-chlorobenzamide
CID 66714993
2-methoxy-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226771
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755

Frequently Asked Questions

What is the IUPAC name of N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide (CID 66715123) is N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide is CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2OC)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide?
The InChIKey is RMBMXMUQQRPZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-32(29,30)27(22-15-10-18(2)19(3)16-22)17-20-11-13-21(14-12-20)26-25(28)23-8-6-7-9-24(23)31-4/h6-16H,5,17H2,1-4H3,(H,26,28).
What are the key properties of N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide?
N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide has a molecular weight of 452.58 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 66715123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).