N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide

C23H26ClN3O5S — CID 50767805

IUPACN-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C23H26ClN3O5S/c1-23(2)18-13-17(33(30,31)26-9-11-32-12-10-26)7-8-20(18)27(22(23)29)15-21(28)25-14-16-5-3-4-6-19(16)24/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeyQBQCCGLHCCEOMO-UHFFFAOYSA-N
MW492.00 g/mol
LogP2.30
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide (PubChem CID 50767805) has the molecular formula C23H26ClN3O5S and a molecular weight of 492.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
PubChem CID50767805
Molecular FormulaC23H26ClN3O5S
Molecular Weight492.00 g/mol
Exact Mass491.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C23H26ClN3O5S/c1-23(2)18-13-17(33(30,31)26-9-11-32-12-10-26)7-8-20(18)27(22(23)29)15-21(28)25-14-16-5-3-4-6-19(16)24/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeyQBQCCGLHCCEOMO-UHFFFAOYSA-N
XLogP2.30
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 52.30
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-(thiophen-2-ylmethyl)acetamide
CID 50767840
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-methoxyphenyl)methyl]acetamide
CID 22583332
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-(4-fluorophenyl)acetamide
CID 50767853
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
2-[3,3-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 94070637
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-phenylpropyl)acetamide
CID 50767600
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639
N-[(2-chlorophenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27137564

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide (CID 50767805) is N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide is CC1(C)C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide?
The InChIKey is QBQCCGLHCCEOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5S/c1-23(2)18-13-17(33(30,31)26-9-11-32-12-10-26)7-8-20(18)27(22(23)29)15-21(28)25-14-16-5-3-4-6-19(16)24/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide has a molecular weight of 492.00 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide is sourced from PubChem (CID 50767805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).