N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide

C25H24N2O3S — CID 20911062

IUPACN-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N2O3S/c1-26(16-20-10-4-2-5-11-20)25(28)18-27-17-24(22-14-8-9-15-23(22)27)31(29,30)19-21-12-6-3-7-13-21/h2-15,17H,16,18-19H2,1H3
InChIKeyKSFBEAHCDPLOFA-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.27
Rot. Bonds7

About N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide

N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide (PubChem CID 20911062) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide
PubChem CID20911062
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N2O3S/c1-26(16-20-10-4-2-5-11-20)25(28)18-27-17-24(22-14-8-9-15-23(22)27)31(29,30)19-21-12-6-3-7-13-21/h2-15,17H,16,18-19H2,1H3
InChIKeyKSFBEAHCDPLOFA-UHFFFAOYSA-N
XLogP4.27
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide 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-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide (CID 20911062) is N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide?
The InChIKey is KSFBEAHCDPLOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-26(16-20-10-4-2-5-11-20)25(28)18-27-17-24(22-14-8-9-15-23(22)27)31(29,30)19-21-12-6-3-7-13-21/h2-15,17H,16,18-19H2,1H3.
What are the key properties of N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide?
N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide has a molecular weight of 432.55 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-benzylsulfonylindol-1-yl)-N-methylacetamide is sourced from PubChem (CID 20911062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).