N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide

C18H20N2O2S — CID 110293010

IUPACN-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(CNS(C)(=O)=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-7-9-14(10-8-13)16(12-20-23(2,21)22)17-11-19-18-6-4-3-5-15(17)18/h3-11,16,19-20H,12H2,1-2H3
InChIKeyUPVGHMKGTYFWOX-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide

N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide (PubChem CID 110293010) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
PubChem CID110293010
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(CNS(C)(=O)=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-7-9-14(10-8-13)16(12-20-23(2,21)22)17-11-19-18-6-4-3-5-15(17)18/h3-11,16,19-20H,12H2,1-2H3
InChIKeyUPVGHMKGTYFWOX-UHFFFAOYSA-N
XLogP3.16
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide 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-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892
N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
CID 101158082
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 43001237
3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 42994894
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 60544253
N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 30328329
N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 42994767
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide (CID 110293010) is N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide is Cc1ccc(C(CNS(C)(=O)=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is UPVGHMKGTYFWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-7-9-14(10-8-13)16(12-20-23(2,21)22)17-11-19-18-6-4-3-5-15(17)18/h3-11,16,19-20H,12H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide?
N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 110293010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).