N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide

C20H21N3O2S2 — CID 11625467

IUPACN-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide
SMILESCN(C)CCn1ccc2cc(NS(=O)(=O)c3csc4ccccc34)ccc21
InChIInChI=1S/C20H21N3O2S2/c1-22(2)11-12-23-10-9-15-13-16(7-8-18(15)23)21-27(24,25)20-14-26-19-6-4-3-5-17(19)20/h3-10,13-14,21H,11-12H2,1-2H3
InChIKeyMQMNJOASXKPUKI-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.22
Rot. Bonds6

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

N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide (PubChem CID 11625467) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide
PubChem CID11625467
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC NameN-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide
SMILESCN(C)CCn1ccc2cc(NS(=O)(=O)c3csc4ccccc34)ccc21
InChIInChI=1S/C20H21N3O2S2/c1-22(2)11-12-23-10-9-15-13-16(7-8-18(15)23)21-27(24,25)20-14-26-19-6-4-3-5-17(19)20/h3-10,13-14,21H,11-12H2,1-2H3
InChIKeyMQMNJOASXKPUKI-UHFFFAOYSA-N
XLogP4.22
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-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-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide (CID 11625467) is N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide is CN(C)CCn1ccc2cc(NS(=O)(=O)c3csc4ccccc34)ccc21.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide?
The InChIKey is MQMNJOASXKPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-22(2)11-12-23-10-9-15-13-16(7-8-18(15)23)21-27(24,25)20-14-26-19-6-4-3-5-17(19)20/h3-10,13-14,21H,11-12H2,1-2H3.
What are the key properties of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide?
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide has a molecular weight of 399.54 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 11625467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).