3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide

C20H25N3O3S — CID 19844112

IUPAC3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-26-17-7-5-16(6-8-17)22-27(24,25)18-9-10-20-19(13-18)15(14-21-20)11-12-23(2)3/h5-10,13-14,21-22H,4,11-12H2,1-3H3
InChIKeyPSLCWSICHFNXMA-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.47
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide

3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide (PubChem CID 19844112) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
PubChem CID19844112
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-26-17-7-5-16(6-8-17)22-27(24,25)18-9-10-20-19(13-18)15(14-21-20)11-12-23(2)3/h5-10,13-14,21-22H,4,11-12H2,1-3H3
InChIKeyPSLCWSICHFNXMA-UHFFFAOYSA-N
XLogP3.47
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide 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

2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid
CID 19844106
6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3679674
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990653
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
CID 62057274
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26710792
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide (CID 19844112) is 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(CCN(C)C)c3c2)cc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide?
The InChIKey is PSLCWSICHFNXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-26-17-7-5-16(6-8-17)22-27(24,25)18-9-10-20-19(13-18)15(14-21-20)11-12-23(2)3/h5-10,13-14,21-22H,4,11-12H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide?
3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 19844112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).