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

C34H29N3O2S — CID 2064430

IUPACN-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESCc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)C(c5ccccc5)c5ccccc5)sc4C)ccc32)cc1
InChIInChI=1S/C34H29N3O2S/c1-22-13-15-26(16-14-22)33(39)37-20-19-27-21-28(17-18-29(27)37)31-23(2)40-34(35-31)36-32(38)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,21,30H,19-20H2,1-2H3,(H,35,36,38)
InChIKeyNEEHOTKVGYGBOW-UHFFFAOYSA-N
MW543.69 g/mol
LogP7.40
Rot. Bonds6

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

N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 2064430) has the molecular formula C34H29N3O2S and a molecular weight of 543.69 g/mol. Its IUPAC name is N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
PubChem CID2064430
Molecular FormulaC34H29N3O2S
Molecular Weight543.69 g/mol
Exact Mass543.20
IUPAC NameN-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESCc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)C(c5ccccc5)c5ccccc5)sc4C)ccc32)cc1
InChIInChI=1S/C34H29N3O2S/c1-22-13-15-26(16-14-22)33(39)37-20-19-27-21-28(17-18-29(27)37)31-23(2)40-34(35-31)36-32(38)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,21,30H,19-20H2,1-2H3,(H,35,36,38)
InChIKeyNEEHOTKVGYGBOW-UHFFFAOYSA-N
XLogP7.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.69
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone
CID 1450308
1-(4-chlorophenyl)-N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 2064413
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 1451021
[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
CID 3231825
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 3231861
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
CID 1450246
N-[4-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 5019705
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1451102
2-[cyclohexyl(methyl)amino]-N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 3231879
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
2-(1,3-benzodioxol-5-yl)-N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 1450426

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide (CID 2064430) is N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide is Cc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)C(c5ccccc5)c5ccccc5)sc4C)ccc32)cc1.
What is the InChIKey of N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is NEEHOTKVGYGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O2S/c1-22-13-15-26(16-14-22)33(39)37-20-19-27-21-28(17-18-29(27)37)31-23(2)40-34(35-31)36-32(38)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,21,30H,19-20H2,1-2H3,(H,35,36,38).
What are the key properties of N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 543.69 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 2064430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).