2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C27H35N3O4S — CID 94070615

IUPAC2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc32)cc1
InChIInChI=1S/C27H35N3O4S/c1-18(2)20-8-10-21(11-9-20)28-25(31)17-30-24-13-12-22(15-23(24)27(4,5)26(30)32)35(33,34)29-14-6-7-19(3)16-29/h8-13,15,18-19H,6-7,14,16-17H2,1-5H3,(H,28,31)/t19-/m1/s1
InChIKeyGFUZYRQKIHAUOK-LJQANCHMSA-N
MW497.66 g/mol
LogP4.49
Rot. Bonds6

About 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 94070615) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID94070615
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC Name2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc32)cc1
InChIInChI=1S/C27H35N3O4S/c1-18(2)20-8-10-21(11-9-20)28-25(31)17-30-24-13-12-22(15-23(24)27(4,5)26(30)32)35(33,34)29-14-6-7-19(3)16-29/h8-13,15,18-19H,6-7,14,16-17H2,1-5H3,(H,28,31)/t19-/m1/s1
InChIKeyGFUZYRQKIHAUOK-LJQANCHMSA-N
XLogP4.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070576
N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide
CID 50767842
2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
CID 50767803
N-cyclooctyl-2-[3,3-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070581
2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 50767844
2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 50767851
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-[(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-(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-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 50767853
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 43027565

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 94070615) is 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc32)cc1.
What is the InChIKey of 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is GFUZYRQKIHAUOK-LJQANCHMSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-18(2)20-8-10-21(11-9-20)28-25(31)17-30-24-13-12-22(15-23(24)27(4,5)26(30)32)35(33,34)29-14-6-7-19(3)16-29/h8-13,15,18-19H,6-7,14,16-17H2,1-5H3,(H,28,31)/t19-/m1/s1.
What are the key properties of 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 497.66 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 94070615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).