N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide

C21H22N4O2S2 — CID 10296074

IUPACN-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)cc12
InChIInChI=1S/C21H22N4O2S2/c1-25(2)12-10-15-14-23-18-7-6-16(13-17(15)18)24-29(26,27)21-9-8-20(28-21)19-5-3-4-11-22-19/h3-9,11,13-14,23-24H,10,12H2,1-2H3
InChIKeyMVWFMZANKKTILP-UHFFFAOYSA-N
MW426.57 g/mol
LogP4.20
Rot. Bonds7

About N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide

N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 10296074) has the molecular formula C21H22N4O2S2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID10296074
Molecular FormulaC21H22N4O2S2
Molecular Weight426.57 g/mol
Exact Mass426.12
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)cc12
InChIInChI=1S/C21H22N4O2S2/c1-25(2)12-10-15-14-23-18-7-6-16(13-17(15)18)24-29(26,27)21-9-8-20(28-21)19-5-3-4-11-22-19/h3-9,11,13-14,23-24H,10,12H2,1-2H3
InChIKeyMVWFMZANKKTILP-UHFFFAOYSA-N
XLogP4.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-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-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide (CID 10296074) is N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide is CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)cc12.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is MVWFMZANKKTILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S2/c1-25(2)12-10-15-14-23-18-7-6-16(13-17(15)18)24-29(26,27)21-9-8-20(28-21)19-5-3-4-11-22-19/h3-9,11,13-14,23-24H,10,12H2,1-2H3.
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 426.57 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 10296074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).