2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

C20H20F3N3O4S — CID 55490088

IUPAC2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)NCC(F)(F)F)cc2CC1C
InChIInChI=1S/C20H20F3N3O4S/c1-12-9-14-10-15(7-8-18(14)26(12)13(2)27)31(29,30)25-17-6-4-3-5-16(17)19(28)24-11-20(21,22)23/h3-8,10,12,25H,9,11H2,1-2H3,(H,24,28)
InChIKeyMUWZSFZFNAGRIW-UHFFFAOYSA-N
MW455.46 g/mol
LogP3.08
Rot. Bonds5

About 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55490088) has the molecular formula C20H20F3N3O4S and a molecular weight of 455.46 g/mol. Its IUPAC name is 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55490088
Molecular FormulaC20H20F3N3O4S
Molecular Weight455.46 g/mol
Exact Mass455.11
IUPAC Name2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)NCC(F)(F)F)cc2CC1C
InChIInChI=1S/C20H20F3N3O4S/c1-12-9-14-10-15(7-8-18(14)26(12)13(2)27)31(29,30)25-17-6-4-3-5-16(17)19(28)24-11-20(21,22)23/h3-8,10,12,25H,9,11H2,1-2H3,(H,24,28)
InChIKeyMUWZSFZFNAGRIW-UHFFFAOYSA-N
XLogP3.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 8843607
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911661
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 15996791
1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 75451751
1-acetyl-N-(1-amino-2-methylpropan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119975736

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 55490088) is 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)NCC(F)(F)F)cc2CC1C.
What is the InChIKey of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MUWZSFZFNAGRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4S/c1-12-9-14-10-15(7-8-18(14)26(12)13(2)27)31(29,30)25-17-6-4-3-5-16(17)19(28)24-11-20(21,22)23/h3-8,10,12,25H,9,11H2,1-2H3,(H,24,28).
What are the key properties of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 455.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55490088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).