N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide

C25H30N2O4S2 — CID 11113679

IUPACN-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCc1ccc(CN(CCc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H30N2O4S2/c1-21-9-11-24(12-10-21)20-26(19-23-7-5-4-6-8-23)18-17-22-13-15-25(16-14-22)27(32(2,28)29)33(3,30)31/h4-16H,17-20H2,1-3H3
InChIKeyGFBCYHKIJYOJCV-UHFFFAOYSA-N
MW486.66 g/mol
LogP3.97
Rot. Bonds10

About N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide

N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide (PubChem CID 11113679) has the molecular formula C25H30N2O4S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
PubChem CID11113679
Molecular FormulaC25H30N2O4S2
Molecular Weight486.66 g/mol
Exact Mass486.16
IUPAC NameN-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCc1ccc(CN(CCc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H30N2O4S2/c1-21-9-11-24(12-10-21)20-26(19-23-7-5-4-6-8-23)18-17-22-13-15-25(16-14-22)27(32(2,28)29)33(3,30)31/h4-16H,17-20H2,1-3H3
InChIKeyGFBCYHKIJYOJCV-UHFFFAOYSA-N
XLogP3.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide (CID 11113679) is N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide is Cc1ccc(CN(CCc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is GFBCYHKIJYOJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S2/c1-21-9-11-24(12-10-21)20-26(19-23-7-5-4-6-8-23)18-17-22-13-15-25(16-14-22)27(32(2,28)29)33(3,30)31/h4-16H,17-20H2,1-3H3.
What are the key properties of N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 486.66 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl-[(4-methylphenyl)methyl]amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 11113679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).