(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide

C17H19N3O3S — CID 9432096

IUPAC(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCc2ccccc21
InChIInChI=1S/C17H19N3O3S/c1-12(20-10-9-13-5-2-3-8-16(13)20)17(21)19-14-6-4-7-15(11-14)24(18,22)23/h2-8,11-12H,9-10H2,1H3,(H,19,21)(H2,18,22,23)/t12-/m0/s1
InChIKeyCBALCFJHSKGPCB-LBPRGKRZSA-N
MW345.42 g/mol
LogP1.72
Rot. Bonds4

About (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide

(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 9432096) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
PubChem CID9432096
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCc2ccccc21
InChIInChI=1S/C17H19N3O3S/c1-12(20-10-9-13-5-2-3-8-16(13)20)17(21)19-14-6-4-7-15(11-14)24(18,22)23/h2-8,11-12H,9-10H2,1H3,(H,19,21)(H2,18,22,23)/t12-/m0/s1
InChIKeyCBALCFJHSKGPCB-LBPRGKRZSA-N
XLogP1.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide 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 (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide (CID 9432096) is (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide is C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is CBALCFJHSKGPCB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12(20-10-9-13-5-2-3-8-16(13)20)17(21)19-14-6-4-7-15(11-14)24(18,22)23/h2-8,11-12H,9-10H2,1H3,(H,19,21)(H2,18,22,23)/t12-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide?
(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 345.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 9432096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).