N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide

C27H28F3N3O5S — CID 2220229

IUPACN-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C27H28F3N3O5S/c1-17(34)31-19-9-11-20(12-10-19)39(37,38)32-26(27(28,29)30)23-21(15-25(2,3)16-22(23)35)33(24(26)36)14-13-18-7-5-4-6-8-18/h4-12,32H,13-16H2,1-3H3,(H,31,34)/t26-/m1/s1
InChIKeyHIXLRORMDJVBNI-AREMUKBSSA-N
MW563.60 g/mol
LogP3.95
Rot. Bonds7

About N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2220229) has the molecular formula C27H28F3N3O5S and a molecular weight of 563.60 g/mol. Its IUPAC name is N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID2220229
Molecular FormulaC27H28F3N3O5S
Molecular Weight563.60 g/mol
Exact Mass563.17
IUPAC NameN-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C27H28F3N3O5S/c1-17(34)31-19-9-11-20(12-10-19)39(37,38)32-26(27(28,29)30)23-21(15-25(2,3)16-22(23)35)33(24(26)36)14-13-18-7-5-4-6-8-18/h4-12,32H,13-16H2,1-3H3,(H,31,34)/t26-/m1/s1
InChIKeyHIXLRORMDJVBNI-AREMUKBSSA-N
XLogP3.95
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.60
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
CID 2965057
N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
CID 42578734
N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 2027460
N-[(3S)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phenylpropanamide
CID 2222331
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]furan-2-carboxamide
CID 2001802
N-[(3S)-1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide
CID 2032445
N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide
CID 4978721
N-[(3S)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
CID 40818028
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
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide
CID 2023554
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methoxybenzamide
CID 92651801
N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 2220238

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide (CID 2220229) is N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is HIXLRORMDJVBNI-AREMUKBSSA-N. The full InChI is InChI=1S/C27H28F3N3O5S/c1-17(34)31-19-9-11-20(12-10-19)39(37,38)32-26(27(28,29)30)23-21(15-25(2,3)16-22(23)35)33(24(26)36)14-13-18-7-5-4-6-8-18/h4-12,32H,13-16H2,1-3H3,(H,31,34)/t26-/m1/s1.
What are the key properties of N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 563.60 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2220229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).