2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide

C21H24N4O5S — CID 50767791

IUPAC2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide
SMILESCC1(C)C(=O)N(CC(=O)Nc2cccnc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H24N4O5S/c1-21(2)17-12-16(31(28,29)24-8-10-30-11-9-24)5-6-18(17)25(20(21)27)14-19(26)23-15-4-3-7-22-13-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyUBPSUDKTNXPZSM-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.37
Rot. Bonds5

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

2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide (PubChem CID 50767791) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide
PubChem CID50767791
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide
SMILESCC1(C)C(=O)N(CC(=O)Nc2cccnc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H24N4O5S/c1-21(2)17-12-16(31(28,29)24-8-10-30-11-9-24)5-6-18(17)25(20(21)27)14-19(26)23-15-4-3-7-22-13-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyUBPSUDKTNXPZSM-UHFFFAOYSA-N
XLogP1.37
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 50767853
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
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
CID 50767788
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 50767840
N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767805
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50767546
2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 50767659
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639
2-[7-(azepan-1-ylsulfonyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-pyridin-3-ylacetamide
CID 53122515
2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 50767570

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide (CID 50767791) is 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide is CC1(C)C(=O)N(CC(=O)Nc2cccnc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide?
The InChIKey is UBPSUDKTNXPZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-21(2)17-12-16(31(28,29)24-8-10-30-11-9-24)5-6-18(17)25(20(21)27)14-19(26)23-15-4-3-7-22-13-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide?
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide has a molecular weight of 444.51 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-pyridin-3-ylacetamide is sourced from PubChem (CID 50767791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).