N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide

C27H27F3N2O5 — CID 92651732

IUPACN-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C27H27F3N2O5/c1-15-6-9-17(10-7-15)32-18-13-25(2,3)14-19(33)22(18)26(24(32)35,27(28,29)30)31-23(34)16-8-11-20(36-4)21(12-16)37-5/h6-12H,13-14H2,1-5H3,(H,31,34)/t26-/m0/s1
InChIKeyJVUHSCGQKDRKRP-SANMLTNESA-N
MW516.52 g/mol
LogP4.73
Rot. Bonds5

About N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide

N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide (PubChem CID 92651732) has the molecular formula C27H27F3N2O5 and a molecular weight of 516.52 g/mol. Its IUPAC name is N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
PubChem CID92651732
Molecular FormulaC27H27F3N2O5
Molecular Weight516.52 g/mol
Exact Mass516.19
IUPAC NameN-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C27H27F3N2O5/c1-15-6-9-17(10-7-15)32-18-13-25(2,3)14-19(33)22(18)26(24(32)35,27(28,29)30)31-23(34)16-8-11-20(36-4)21(12-16)37-5/h6-12H,13-14H2,1-5H3,(H,31,34)/t26-/m0/s1
InChIKeyJVUHSCGQKDRKRP-SANMLTNESA-N
XLogP4.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500693
N-[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500704
N-[(3R)-1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 98153396
N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 92651743
N-[1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 4917329
N-[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide
CID 2217179
(3R)-6,6-dimethyl-1-(4-methylphenyl)-3-(1,3-thiazol-2-ylamino)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
CID 2020503
N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
CID 17087870
N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
CID 2965057
N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide
CID 46500732
N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 42578759
N-[1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-propan-2-yloxybenzamide
CID 4612713

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide (CID 92651732) is N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC.
What is the InChIKey of N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is JVUHSCGQKDRKRP-SANMLTNESA-N. The full InChI is InChI=1S/C27H27F3N2O5/c1-15-6-9-17(10-7-15)32-18-13-25(2,3)14-19(33)22(18)26(24(32)35,27(28,29)30)31-23(34)16-8-11-20(36-4)21(12-16)37-5/h6-12H,13-14H2,1-5H3,(H,31,34)/t26-/m0/s1.
What are the key properties of N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide?
N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 516.52 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 92651732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).