N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

C20H20N4O3S2 — CID 56541123

IUPACN-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C20H20N4O3S2/c21-29(26,27)16-6-7-17-15(12-16)8-10-24(17)13-18(25)23-19(20-22-9-11-28-20)14-4-2-1-3-5-14/h1-7,9,11-12,19H,8,10,13H2,(H,23,25)(H2,21,26,27)
InChIKeyPIVRZXUOOQGKMV-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.06
Rot. Bonds6

About N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 56541123) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID56541123
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC NameN-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C20H20N4O3S2/c21-29(26,27)16-6-7-17-15(12-16)8-10-24(17)13-18(25)23-19(20-22-9-11-28-20)14-4-2-1-3-5-14/h1-7,9,11-12,19H,8,10,13H2,(H,23,25)(H2,21,26,27)
InChIKeyPIVRZXUOOQGKMV-UHFFFAOYSA-N
XLogP2.06
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide 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-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (CID 56541123) is N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC(c1ccccc1)c1nccs1.
What is the InChIKey of N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is PIVRZXUOOQGKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c21-29(26,27)16-6-7-17-15(12-16)8-10-24(17)13-18(25)23-19(20-22-9-11-28-20)14-4-2-1-3-5-14/h1-7,9,11-12,19H,8,10,13H2,(H,23,25)(H2,21,26,27).
What are the key properties of N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 428.54 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 56541123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).