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

C21H20N2O3S2 — CID 15993546

IUPACN-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
SMILESO=C(C(Cc1ccccc1)NS(=O)(=O)c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O3S2/c24-21(23-13-12-17-9-4-5-10-19(17)23)18(15-16-7-2-1-3-8-16)22-28(25,26)20-11-6-14-27-20/h1-11,14,18,22H,12-13,15H2
InChIKeyMQGUICYHTVFYNU-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.23
Rot. Bonds6

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

N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide (PubChem CID 15993546) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
PubChem CID15993546
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC NameN-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
SMILESO=C(C(Cc1ccccc1)NS(=O)(=O)c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O3S2/c24-21(23-13-12-17-9-4-5-10-19(17)23)18(15-16-7-2-1-3-8-16)22-28(25,26)20-11-6-14-27-20/h1-11,14,18,22H,12-13,15H2
InChIKeyMQGUICYHTVFYNU-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]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-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide (CID 15993546) is N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide is O=C(C(Cc1ccccc1)NS(=O)(=O)c1cccs1)N1CCc2ccccc21.
What is the InChIKey of N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is MQGUICYHTVFYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c24-21(23-13-12-17-9-4-5-10-19(17)23)18(15-16-7-2-1-3-8-16)22-28(25,26)20-11-6-14-27-20/h1-11,14,18,22H,12-13,15H2.
What are the key properties of N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 412.54 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 15993546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).