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

C22H26F3N3O5S — CID 2969245

IUPACN-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCCCN1C(=O)C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C22H26F3N3O5S/c1-5-10-28-16-11-20(3,4)12-17(30)18(16)21(19(28)31,22(23,24)25)27-34(32,33)15-8-6-14(7-9-15)26-13(2)29/h6-9,27H,5,10-12H2,1-4H3,(H,26,29)
InChIKeySYRCUUKMYKOKDA-UHFFFAOYSA-N
MW501.53 g/mol
LogP3.12
Rot. Bonds6

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

N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2969245) has the molecular formula C22H26F3N3O5S and a molecular weight of 501.53 g/mol. Its IUPAC name is N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID2969245
Molecular FormulaC22H26F3N3O5S
Molecular Weight501.53 g/mol
Exact Mass501.15
IUPAC NameN-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCCCN1C(=O)C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C22H26F3N3O5S/c1-5-10-28-16-11-20(3,4)12-17(30)18(16)21(19(28)31,22(23,24)25)27-34(32,33)15-8-6-14(7-9-15)26-13(2)29/h6-9,27H,5,10-12H2,1-4H3,(H,26,29)
InChIKeySYRCUUKMYKOKDA-UHFFFAOYSA-N
XLogP3.12
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide (CID 2969245) is N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide is CCCN1C(=O)C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is SYRCUUKMYKOKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O5S/c1-5-10-28-16-11-20(3,4)12-17(30)18(16)21(19(28)31,22(23,24)25)27-34(32,33)15-8-6-14(7-9-15)26-13(2)29/h6-9,27H,5,10-12H2,1-4H3,(H,26,29).
What are the key properties of N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 501.53 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2969245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).