3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine

C21H23N5O2S2 — CID 69262700

IUPAC3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)Nc3ccc(-c4ccccn4)s3)cc12
InChIInChI=1S/C21H23N5O2S2/c1-26(2)12-10-15-14-23-18-7-6-16(13-17(15)18)24-30(27,28)25-21-9-8-20(29-21)19-5-3-4-11-22-19/h3-9,11,13-14,23-25H,10,12H2,1-2H3
InChIKeyNUSDHZVSCNMLPN-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.16
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine

3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine (PubChem CID 69262700) has the molecular formula C21H23N5O2S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine
PubChem CID69262700
Molecular FormulaC21H23N5O2S2
Molecular Weight441.58 g/mol
Exact Mass441.13
IUPAC Name3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)Nc3ccc(-c4ccccn4)s3)cc12
InChIInChI=1S/C21H23N5O2S2/c1-26(2)12-10-15-14-23-18-7-6-16(13-17(15)18)24-30(27,28)25-21-9-8-20(29-21)19-5-3-4-11-22-19/h3-9,11,13-14,23-25H,10,12H2,1-2H3
InChIKeyNUSDHZVSCNMLPN-UHFFFAOYSA-N
XLogP4.16
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

Analyze 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine with MolForge

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Related Compounds

N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 69265044
N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine
CID 69262416
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine
CID 176862279
3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
CID 19844112
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine
CID 19970906
N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide
CID 70858282
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine (CID 69262700) is 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine is CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)Nc3ccc(-c4ccccn4)s3)cc12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine?
The InChIKey is NUSDHZVSCNMLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S2/c1-26(2)12-10-15-14-23-18-7-6-16(13-17(15)18)24-30(27,28)25-21-9-8-20(29-21)19-5-3-4-11-22-19/h3-9,11,13-14,23-25H,10,12H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine?
3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine has a molecular weight of 441.58 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine is sourced from PubChem (CID 69262700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).