2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide

C25H31N3O4S — CID 50767546

IUPAC2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1C
InChIInChI=1S/C25H31N3O4S/c1-17-8-9-19(14-18(17)2)26-23(29)16-28-22-11-10-20(15-21(22)25(3,4)24(28)30)33(31,32)27-12-6-5-7-13-27/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,26,29)
InChIKeyWEYJVOYGILRSPZ-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.74
Rot. Bonds5

About 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide

2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 50767546) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID50767546
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1C
InChIInChI=1S/C25H31N3O4S/c1-17-8-9-19(14-18(17)2)26-23(29)16-28-22-11-10-20(15-21(22)25(3,4)24(28)30)33(31,32)27-12-6-5-7-13-27/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,26,29)
InChIKeyWEYJVOYGILRSPZ-UHFFFAOYSA-N
XLogP3.74
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,4-dimethylphenyl)acetamide
CID 53122542
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 50767853
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 22583332
N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070576
2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 94070615
N-(3,4-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519279
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-phenylpropyl)acetamide
CID 50767600
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 50767660
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-(2,3-dimethylphenyl)acetamide
CID 50767830

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide (CID 50767546) is 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1C.
What is the InChIKey of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is WEYJVOYGILRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-17-8-9-19(14-18(17)2)26-23(29)16-28-22-11-10-20(15-21(22)25(3,4)24(28)30)33(31,32)27-12-6-5-7-13-27/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,26,29).
What are the key properties of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 469.61 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 50767546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).