2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

C27H24FN3O3S2 — CID 90448783

IUPAC2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4F)sc3C)ccc21
InChIInChI=1S/C27H24FN3O3S2/c1-17-7-3-6-10-24(17)36(33,34)31-14-13-20-15-21(11-12-23(20)31)26-18(2)35-27(30-26)29-25(32)16-19-8-4-5-9-22(19)28/h3-12,15H,13-14,16H2,1-2H3,(H,29,30,32)
InChIKeyYFDWODSHWMRAEO-UHFFFAOYSA-N
MW521.64 g/mol
LogP5.50
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 90448783) has the molecular formula C27H24FN3O3S2 and a molecular weight of 521.64 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID90448783
Molecular FormulaC27H24FN3O3S2
Molecular Weight521.64 g/mol
Exact Mass521.12
IUPAC Name2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4F)sc3C)ccc21
InChIInChI=1S/C27H24FN3O3S2/c1-17-7-3-6-10-24(17)36(33,34)31-14-13-20-15-21(11-12-23(20)31)26-18(2)35-27(30-26)29-25(32)16-19-8-4-5-9-22(19)28/h3-12,15H,13-14,16H2,1-2H3,(H,29,30,32)
InChIKeyYFDWODSHWMRAEO-UHFFFAOYSA-N
XLogP5.50
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.64
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-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 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (CID 90448783) is 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is Cc1ccccc1S(=O)(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4F)sc3C)ccc21.
What is the InChIKey of 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YFDWODSHWMRAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3S2/c1-17-7-3-6-10-24(17)36(33,34)31-14-13-20-15-21(11-12-23(20)31)26-18(2)35-27(30-26)29-25(32)16-19-8-4-5-9-22(19)28/h3-12,15H,13-14,16H2,1-2H3,(H,29,30,32).
What are the key properties of 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 521.64 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 90448783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).