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

C24H29N3O5S — CID 50767830

IUPAC2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCOCC4)ccc32)c1C
InChIInChI=1S/C24H29N3O5S/c1-16-6-5-7-20(17(16)2)25-22(28)15-27-21-9-8-18(14-19(21)24(3,4)23(27)29)33(30,31)26-10-12-32-13-11-26/h5-9,14H,10-13,15H2,1-4H3,(H,25,28)
InChIKeyNGLYPGHXDKFIMY-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.59
Rot. Bonds5

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

2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 50767830) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
PubChem CID50767830
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCOCC4)ccc32)c1C
InChIInChI=1S/C24H29N3O5S/c1-16-6-5-7-20(17(16)2)25-22(28)15-27-21-9-8-18(14-19(21)24(3,4)23(27)29)33(30,31)26-10-12-32-13-11-26/h5-9,14H,10-13,15H2,1-4H3,(H,25,28)
InChIKeyNGLYPGHXDKFIMY-UHFFFAOYSA-N
XLogP2.59
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 50767603
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2-ethylphenyl)acetamide
CID 50767837
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639
2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
CID 50767527
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-pyridin-3-ylacetamide
CID 50767791
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-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
CID 50767803
N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
CID 46385696

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide (CID 50767830) is 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCOCC4)ccc32)c1C.
What is the InChIKey of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is NGLYPGHXDKFIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-16-6-5-7-20(17(16)2)25-22(28)15-27-21-9-8-18(14-19(21)24(3,4)23(27)29)33(30,31)26-10-12-32-13-11-26/h5-9,14H,10-13,15H2,1-4H3,(H,25,28).
What are the key properties of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide?
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 2.59, 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-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 50767830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).