2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane

C29H30ClN3O2S2 — CID 144711769

IUPAC2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane
SMILESCC.Cc1ccccc1S(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4Cl)sc3C)ccc21
InChIInChI=1S/C27H24ClN3O2S2.C2H6/c1-17-7-3-6-10-24(17)35(33)31-14-13-20-15-21(11-12-23(20)31)26-18(2)34-27(30-26)29-25(32)16-19-8-4-5-9-22(19)28;1-2/h3-12,15H,13-14,16H2,1-2H3,(H,29,30,32);1-2H3
InChIKeyFWKREBXVJLWFSR-UHFFFAOYSA-N
MW552.17 g/mol
LogP7.37
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane

2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane (PubChem CID 144711769) has the molecular formula C29H30ClN3O2S2 and a molecular weight of 552.17 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane
PubChem CID144711769
Molecular FormulaC29H30ClN3O2S2
Molecular Weight552.17 g/mol
Exact Mass551.15
IUPAC Name2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane
SMILESCC.Cc1ccccc1S(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4Cl)sc3C)ccc21
InChIInChI=1S/C27H24ClN3O2S2.C2H6/c1-17-7-3-6-10-24(17)35(33)31-14-13-20-15-21(11-12-23(20)31)26-18(2)34-27(30-26)29-25(32)16-19-8-4-5-9-22(19)28;1-2/h3-12,15H,13-14,16H2,1-2H3,(H,29,30,32);1-2H3
InChIKeyFWKREBXVJLWFSR-UHFFFAOYSA-N
XLogP7.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.17
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-Methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-thiazol-2-yl]-2-phenyl-acetamide
CID 1458486
N-[4-(1-Methanesulfonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)-thiazol-2-yl]-2-phenyl-acetamide
CID 3226519
N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4181352
N-[4-(1-Methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-thiazol-2-yl]-2,2-diphenyl-acetamide
CID 1458607
N-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-(indolin-1-ylsulfonyl)benzamide
CID 4551068
N-[4-(1-Benzenesulfonyl-2,3-dihydro-1H-indol-5-yl)-5-methyl-thiazol-2-yl]-2-(cyclohexyl-methyl-amino)-acetamide
CID 3231882
N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 90448589
N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90448728
2-(3-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448750
2-(4-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448751
N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90448769
2-(2-fluorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448783

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane?
The IUPAC name of 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane (CID 144711769) is 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane?
The canonical SMILES for 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane is CC.Cc1ccccc1S(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4Cl)sc3C)ccc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane?
The InChIKey is FWKREBXVJLWFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2S2.C2H6/c1-17-7-3-6-10-24(17)35(33)31-14-13-20-15-21(11-12-23(20)31)26-18(2)34-27(30-26)29-25(32)16-19-8-4-5-9-22(19)28;1-2/h3-12,15H,13-14,16H2,1-2H3,(H,29,30,32);1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane?
2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane has a molecular weight of 552.17 g/mol, XLogP of 7.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane is sourced from PubChem (CID 144711769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).