N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide

C23H25NO4S — CID 46022962

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1cc(CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2C)cc(OC)c1
InChIInChI=1S/C23H25NO4S/c1-17-8-7-10-20(12-17)24(29(25,26)23-11-6-5-9-18(23)2)16-19-13-21(27-3)15-22(14-19)28-4/h5-15H,16H2,1-4H3
InChIKeyYEDZVZGHFUCFKC-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.72
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide

N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 46022962) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID46022962
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1cc(CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2C)cc(OC)c1
InChIInChI=1S/C23H25NO4S/c1-17-8-7-10-20(12-17)24(29(25,26)23-11-6-5-9-18(23)2)16-19-13-21(27-3)15-22(14-19)28-4/h5-15H,16H2,1-4H3
InChIKeyYEDZVZGHFUCFKC-UHFFFAOYSA-N
XLogP4.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide 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

N-[(3,5-dimethoxyphenyl)methyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46021875
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022927
N-[(3,4-dimethoxyphenyl)methyl]-5-fluoro-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46023083
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 42841749
N-(3-bromophenyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 46021891
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
3-chloro-N-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023259
N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 46152667
N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022824

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 46022962) is N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide is COc1cc(CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2C)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is YEDZVZGHFUCFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-17-8-7-10-20(12-17)24(29(25,26)23-11-6-5-9-18(23)2)16-19-13-21(27-3)15-22(14-19)28-4/h5-15H,16H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 46022962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).