N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide

C33H38N2O6S2 — CID 22036162

IUPACN,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(N(CCS(C)(=O)=O)Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C33H38N2O6S2/c1-26-5-7-27(8-6-26)23-34(21-22-42(4,36)37)30-13-19-33(20-14-30)43(38,39)35(24-28-9-15-31(40-2)16-10-28)25-29-11-17-32(41-3)18-12-29/h5-20H,21-25H2,1-4H3
InChIKeyQKTOQIIMTKYIJO-UHFFFAOYSA-N
MW622.81 g/mol
LogP5.45
Rot. Bonds14

About N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide

N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide (PubChem CID 22036162) has the molecular formula C33H38N2O6S2 and a molecular weight of 622.81 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
PubChem CID22036162
Molecular FormulaC33H38N2O6S2
Molecular Weight622.81 g/mol
Exact Mass622.22
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(N(CCS(C)(=O)=O)Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C33H38N2O6S2/c1-26-5-7-27(8-6-26)23-34(21-22-42(4,36)37)30-13-19-33(20-14-30)43(38,39)35(24-28-9-15-31(40-2)16-10-28)25-29-11-17-32(41-3)18-12-29/h5-20H,21-25H2,1-4H3
InChIKeyQKTOQIIMTKYIJO-UHFFFAOYSA-N
XLogP5.45
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.81
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]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-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 24806524
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 142529385
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794075
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide (CID 22036162) is N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(N(CCS(C)(=O)=O)Cc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide?
The InChIKey is QKTOQIIMTKYIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O6S2/c1-26-5-7-27(8-6-26)23-34(21-22-42(4,36)37)30-13-19-33(20-14-30)43(38,39)35(24-28-9-15-31(40-2)16-10-28)25-29-11-17-32(41-3)18-12-29/h5-20H,21-25H2,1-4H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide has a molecular weight of 622.81 g/mol, XLogP of 5.45, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide is sourced from PubChem (CID 22036162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).