N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide

C17H18N4O3S3 — CID 89068793

IUPACN-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide
SMILESCN(c1cccc2c1NC(C1=NCC(CC=O)S1)C2)S(=O)(=O)c1nccs1
InChIInChI=1S/C17H18N4O3S3/c1-21(27(23,24)17-18-6-8-25-17)14-4-2-3-11-9-13(20-15(11)14)16-19-10-12(26-16)5-7-22/h2-4,6-8,12-13,20H,5,9-10H2,1H3
InChIKeyXAGZFCWKZNRADG-UHFFFAOYSA-N
MW422.56 g/mol
LogP2.41
Rot. Bonds6

About N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide

N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide (PubChem CID 89068793) has the molecular formula C17H18N4O3S3 and a molecular weight of 422.56 g/mol. Its IUPAC name is N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide
PubChem CID89068793
Molecular FormulaC17H18N4O3S3
Molecular Weight422.56 g/mol
Exact Mass422.05
IUPAC NameN-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide
SMILESCN(c1cccc2c1NC(C1=NCC(CC=O)S1)C2)S(=O)(=O)c1nccs1
InChIInChI=1S/C17H18N4O3S3/c1-21(27(23,24)17-18-6-8-25-17)14-4-2-3-11-9-13(20-15(11)14)16-19-10-12(26-16)5-7-22/h2-4,6-8,12-13,20H,5,9-10H2,1H3
InChIKeyXAGZFCWKZNRADG-UHFFFAOYSA-N
XLogP2.41
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-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-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide (CID 89068793) is N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide is CN(c1cccc2c1NC(C1=NCC(CC=O)S1)C2)S(=O)(=O)c1nccs1.
What is the InChIKey of N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide?
The InChIKey is XAGZFCWKZNRADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S3/c1-21(27(23,24)17-18-6-8-25-17)14-4-2-3-11-9-13(20-15(11)14)16-19-10-12(26-16)5-7-22/h2-4,6-8,12-13,20H,5,9-10H2,1H3.
What are the key properties of N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide?
N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide has a molecular weight of 422.56 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 89068793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).