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

C26H26F3N3O5S — CID 2965057

IUPACN-[4-[[6,6-dimethyl-1-(4-methylphenyl)-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(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H26F3N3O5S/c1-15-5-9-18(10-6-15)32-20-13-24(3,4)14-21(34)22(20)25(23(32)35,26(27,28)29)31-38(36,37)19-11-7-17(8-12-19)30-16(2)33/h5-12,31H,13-14H2,1-4H3,(H,30,33)
InChIKeyMUZWKYFYEVEVDA-UHFFFAOYSA-N
MW549.57 g/mol
LogP4.22
Rot. Bonds5

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

N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2965057) has the molecular formula C26H26F3N3O5S and a molecular weight of 549.57 g/mol. Its IUPAC name is N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID2965057
Molecular FormulaC26H26F3N3O5S
Molecular Weight549.57 g/mol
Exact Mass549.15
IUPAC NameN-[4-[[6,6-dimethyl-1-(4-methylphenyl)-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(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H26F3N3O5S/c1-15-5-9-18(10-6-15)32-20-13-24(3,4)14-21(34)22(20)25(23(32)35,26(27,28)29)31-38(36,37)19-11-7-17(8-12-19)30-16(2)33/h5-12,31H,13-14H2,1-4H3,(H,30,33)
InChIKeyMUZWKYFYEVEVDA-UHFFFAOYSA-N
XLogP4.22
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
CID 2220229
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide
CID 92651711
N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 16764158
N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500693
N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 2220238
N-[(3S)-4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide
CID 28886919
N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]acetamide
CID 17382931
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-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide
CID 2945255
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[[(5R)-1-(3-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl]phenyl]acetamide
CID 98078793

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide (CID 2965057) is N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-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(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is MUZWKYFYEVEVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O5S/c1-15-5-9-18(10-6-15)32-20-13-24(3,4)14-21(34)22(20)25(23(32)35,26(27,28)29)31-38(36,37)19-11-7-17(8-12-19)30-16(2)33/h5-12,31H,13-14H2,1-4H3,(H,30,33).
What are the key properties of N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 549.57 g/mol, XLogP of 4.22, 5 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-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2965057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).