N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

C20H18N2O3S2 — CID 4319542

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=C(C(NS(=O)(=O)c1cccs1)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C20H18N2O3S2/c23-20(22-13-12-15-7-4-5-10-17(15)22)19(16-8-2-1-3-9-16)21-27(24,25)18-11-6-14-26-18/h1-11,14,19,21H,12-13H2
InChIKeyQBXFTCSHSVCBIQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 4319542) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID4319542
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=C(C(NS(=O)(=O)c1cccs1)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C20H18N2O3S2/c23-20(22-13-12-15-7-4-5-10-17(15)22)19(16-8-2-1-3-9-16)21-27(24,25)18-11-6-14-26-18/h1-11,14,19,21H,12-13H2
InChIKeyQBXFTCSHSVCBIQ-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-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-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (CID 4319542) is N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is O=C(C(NS(=O)(=O)c1cccs1)c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is QBXFTCSHSVCBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c23-20(22-13-12-15-7-4-5-10-17(15)22)19(16-8-2-1-3-9-16)21-27(24,25)18-11-6-14-26-18/h1-11,14,19,21H,12-13H2.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 398.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4319542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).