N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide

C20H25NO2S — CID 141275723

IUPACN-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CCc2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C20H25NO2S/c1-15(2)24(22,23)21(3)20-12-10-18-14-17(9-11-19(18)20)13-16-7-5-4-6-8-16/h4-9,11,14-15,20H,10,12-13H2,1-3H3
InChIKeyZEXRRFJNHGGXSA-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.93
Rot. Bonds5

About N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide

N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide (PubChem CID 141275723) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide
PubChem CID141275723
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CCc2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C20H25NO2S/c1-15(2)24(22,23)21(3)20-12-10-18-14-17(9-11-19(18)20)13-16-7-5-4-6-8-16/h4-9,11,14-15,20H,10,12-13H2,1-3H3
InChIKeyZEXRRFJNHGGXSA-UHFFFAOYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide 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-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide?
The IUPAC name of N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide (CID 141275723) is N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(C)C1CCc2cc(Cc3ccccc3)ccc21.
What is the InChIKey of N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide?
The InChIKey is ZEXRRFJNHGGXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15(2)24(22,23)21(3)20-12-10-18-14-17(9-11-19(18)20)13-16-7-5-4-6-8-16/h4-9,11,14-15,20H,10,12-13H2,1-3H3.
What are the key properties of N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide?
N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide has a molecular weight of 343.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-2,3-dihydro-1H-inden-1-yl)-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 141275723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).