2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide

C22H24FN3O5S — CID 50767853

IUPAC2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C22H24FN3O5S/c1-22(2)18-13-17(32(29,30)25-9-11-31-12-10-25)7-8-19(18)26(21(22)28)14-20(27)24-16-5-3-15(23)4-6-16/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyGFSOOZSFJQKIQU-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.11
Rot. Bonds5

About 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide

2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 50767853) has the molecular formula C22H24FN3O5S and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID50767853
Molecular FormulaC22H24FN3O5S
Molecular Weight461.52 g/mol
Exact Mass461.14
IUPAC Name2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C22H24FN3O5S/c1-22(2)18-13-17(32(29,30)25-9-11-31-12-10-25)7-8-19(18)26(21(22)28)14-20(27)24-16-5-3-15(23)4-6-16/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyGFSOOZSFJQKIQU-UHFFFAOYSA-N
XLogP2.11
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide
CID 50767791
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2-ethylphenyl)acetamide
CID 50767837
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 50767830
2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 50767659
3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
CID 50767788
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50767546
N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767805
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 50767840
N-(4-fluorophenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903157
N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070576
2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 94070615

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide (CID 50767853) is 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide is CC1(C)C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is GFSOOZSFJQKIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5S/c1-22(2)18-13-17(32(29,30)25-9-11-31-12-10-25)7-8-19(18)26(21(22)28)14-20(27)24-16-5-3-15(23)4-6-16/h3-8,13H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide?
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 461.52 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 50767853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).