2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide

C23H28FN3O4S — CID 20902080

IUPAC2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC(C(=O)Nc3ccc(C)c(F)c3)C(C)C)cc2CC1C
InChIInChI=1S/C23H28FN3O4S/c1-13(2)22(23(29)25-18-7-6-14(3)20(24)12-18)26-32(30,31)19-8-9-21-17(11-19)10-15(4)27(21)16(5)28/h6-9,11-13,15,22,26H,10H2,1-5H3,(H,25,29)
InChIKeyPYQPAMRPYQCGHR-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.37
Rot. Bonds6

About 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide

2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide (PubChem CID 20902080) has the molecular formula C23H28FN3O4S and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide
PubChem CID20902080
Molecular FormulaC23H28FN3O4S
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC Name2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC(C(=O)Nc3ccc(C)c(F)c3)C(C)C)cc2CC1C
InChIInChI=1S/C23H28FN3O4S/c1-13(2)22(23(29)25-18-7-6-14(3)20(24)12-18)26-32(30,31)19-8-9-21-17(11-19)10-15(4)27(21)16(5)28/h6-9,11-13,15,22,26H,10H2,1-5H3,(H,25,29)
InChIKeyPYQPAMRPYQCGHR-UHFFFAOYSA-N
XLogP3.37
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide with MolForge

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Related Compounds

(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide
CID 92705152
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide
CID 46274930
(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide
CID 92705165
(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
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 46274855
1-acetyl-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46970597
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 24791899
(2R)-N-(3-fluoro-4-methylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 40644975

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide?
The IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide (CID 20902080) is 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide is CC(=O)N1c2ccc(S(=O)(=O)NC(C(=O)Nc3ccc(C)c(F)c3)C(C)C)cc2CC1C.
What is the InChIKey of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide?
The InChIKey is PYQPAMRPYQCGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4S/c1-13(2)22(23(29)25-18-7-6-14(3)20(24)12-18)26-32(30,31)19-8-9-21-17(11-19)10-15(4)27(21)16(5)28/h6-9,11-13,15,22,26H,10H2,1-5H3,(H,25,29).
What are the key properties of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide?
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide has a molecular weight of 461.56 g/mol, XLogP of 3.37, 6 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-(3-fluoro-4-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 20902080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).