N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide

C27H25N3O3S2 — CID 90448850

IUPACN-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3nc(NS(=O)(=O)Cc4ccccc4)sc3C)ccc21
InChIInChI=1S/C27H25N3O3S2/c1-18-8-6-7-11-23(18)26(31)30-15-14-21-16-22(12-13-24(21)30)25-19(2)34-27(28-25)29-35(32,33)17-20-9-4-3-5-10-20/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)
InChIKeyAFHYURFZAMVGTJ-UHFFFAOYSA-N
MW503.65 g/mol
LogP5.57
Rot. Bonds6

About N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide

N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide (PubChem CID 90448850) has the molecular formula C27H25N3O3S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide
PubChem CID90448850
Molecular FormulaC27H25N3O3S2
Molecular Weight503.65 g/mol
Exact Mass503.13
IUPAC NameN-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide
SMILESCc1ccccc1C(=O)N1CCc2cc(-c3nc(NS(=O)(=O)Cc4ccccc4)sc3C)ccc21
InChIInChI=1S/C27H25N3O3S2/c1-18-8-6-7-11-23(18)26(31)30-15-14-21-16-22(12-13-24(21)30)25-19(2)34-27(28-25)29-35(32,33)17-20-9-4-3-5-10-20/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)
InChIKeyAFHYURFZAMVGTJ-UHFFFAOYSA-N
XLogP5.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide 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-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide (CID 90448850) is N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide is Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NS(=O)(=O)Cc4ccccc4)sc3C)ccc21.
What is the InChIKey of N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide?
The InChIKey is AFHYURFZAMVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S2/c1-18-8-6-7-11-23(18)26(31)30-15-14-21-16-22(12-13-24(21)30)25-19(2)34-27(28-25)29-35(32,33)17-20-9-4-3-5-10-20/h3-13,16H,14-15,17H2,1-2H3,(H,28,29).
What are the key properties of N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide?
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide has a molecular weight of 503.65 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 90448850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).