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

C26H25F4N3O5S — CID 2965060

IUPACN-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)N(Cc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H25F4N3O5S/c1-15(34)31-18-8-10-19(11-9-18)39(37,38)32-25(26(28,29)30)22-20(12-24(2,3)13-21(22)35)33(23(25)36)14-16-4-6-17(27)7-5-16/h4-11,32H,12-14H2,1-3H3,(H,31,34)
InChIKeyMLCQFICHIHFWER-UHFFFAOYSA-N
MW567.56 g/mol
LogP4.05
Rot. Bonds6

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

N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2965060) has the molecular formula C26H25F4N3O5S and a molecular weight of 567.56 g/mol. Its IUPAC name is N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID2965060
Molecular FormulaC26H25F4N3O5S
Molecular Weight567.56 g/mol
Exact Mass567.15
IUPAC NameN-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)N(Cc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H25F4N3O5S/c1-15(34)31-18-8-10-19(11-9-18)39(37,38)32-25(26(28,29)30)22-20(12-24(2,3)13-21(22)35)33(23(25)36)14-16-4-6-17(27)7-5-16/h4-11,32H,12-14H2,1-3H3,(H,31,34)
InChIKeyMLCQFICHIHFWER-UHFFFAOYSA-N
XLogP4.05
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.56
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide (CID 2965060) is N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)N(Cc3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is MLCQFICHIHFWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N3O5S/c1-15(34)31-18-8-10-19(11-9-18)39(37,38)32-25(26(28,29)30)22-20(12-24(2,3)13-21(22)35)33(23(25)36)14-16-4-6-17(27)7-5-16/h4-11,32H,12-14H2,1-3H3,(H,31,34).
What are the key properties of N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 567.56 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2965060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).