3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one

C20H27N3O6S — CID 50767788

IUPAC3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
SMILESCC1(C)C(=O)N(CC(=O)N2CCOCC2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C20H27N3O6S/c1-20(2)16-13-15(30(26,27)22-7-11-29-12-8-22)3-4-17(16)23(19(20)25)14-18(24)21-5-9-28-10-6-21/h3-4,13H,5-12,14H2,1-2H3
InChIKeyAAOFCVDBYLEKGZ-UHFFFAOYSA-N
MW437.52 g/mol
LogP0.19
Rot. Bonds4

About 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one

3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one (PubChem CID 50767788) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
PubChem CID50767788
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC Name3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
SMILESCC1(C)C(=O)N(CC(=O)N2CCOCC2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C20H27N3O6S/c1-20(2)16-13-15(30(26,27)22-7-11-29-12-8-22)3-4-17(16)23(19(20)25)14-18(24)21-5-9-28-10-6-21/h3-4,13H,5-12,14H2,1-2H3
InChIKeyAAOFCVDBYLEKGZ-UHFFFAOYSA-N
XLogP0.19
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
3,3-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylindol-2-one
CID 50767646
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 50767853
3,3-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)indol-2-one
CID 93056067
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 50767840
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2-ethylphenyl)acetamide
CID 50767837
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-(2,3-dimethylphenyl)acetamide
CID 50767830
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide
CID 50767791
4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 20903081
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one
CID 50767720
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50767546

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one?
The IUPAC name of 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one (CID 50767788) is 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one?
The canonical SMILES for 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one is CC1(C)C(=O)N(CC(=O)N2CCOCC2)c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one?
The InChIKey is AAOFCVDBYLEKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c1-20(2)16-13-15(30(26,27)22-7-11-29-12-8-22)3-4-17(16)23(19(20)25)14-18(24)21-5-9-28-10-6-21/h3-4,13H,5-12,14H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one?
3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one has a molecular weight of 437.52 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one is sourced from PubChem (CID 50767788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).