N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide

C26H23N3O3S2 — CID 1458607

IUPACN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)ccc21
InChIInChI=1S/C26H23N3O3S2/c1-34(31,32)29-15-14-21-16-20(12-13-23(21)29)22-17-33-26(27-22)28-25(30)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16-17,24H,14-15H2,1H3,(H,27,28,30)
InChIKeyOMSDFTMUMHMVJH-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.90
Rot. Bonds6

About N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide

N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 1458607) has the molecular formula C26H23N3O3S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
PubChem CID1458607
Molecular FormulaC26H23N3O3S2
Molecular Weight489.62 g/mol
Exact Mass489.12
IUPAC NameN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)ccc21
InChIInChI=1S/C26H23N3O3S2/c1-34(31,32)29-15-14-21-16-20(12-13-23(21)29)22-17-33-26(27-22)28-25(30)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16-17,24H,14-15H2,1H3,(H,27,28,30)
InChIKeyOMSDFTMUMHMVJH-UHFFFAOYSA-N
XLogP4.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide 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-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide (CID 1458607) is N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide is CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)ccc21.
What is the InChIKey of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is OMSDFTMUMHMVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S2/c1-34(31,32)29-15-14-21-16-20(12-13-23(21)29)22-17-33-26(27-22)28-25(30)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16-17,24H,14-15H2,1H3,(H,27,28,30).
What are the key properties of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 489.62 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 1458607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).