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

C24H28ClN3O4S — CID 94070576

IUPACN-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O4S/c1-16-5-4-12-27(14-16)33(31,32)19-10-11-21-20(13-19)24(2,3)23(30)28(21)15-22(29)26-18-8-6-17(25)7-9-18/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H,26,29)/t16-/m1/s1
InChIKeyFEFMCCGZKWGGIM-MRXNPFEDSA-N
MW490.03 g/mol
LogP4.02
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide (PubChem CID 94070576) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
PubChem CID94070576
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC NameN-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O4S/c1-16-5-4-12-27(14-16)33(31,32)19-10-11-21-20(13-19)24(2,3)23(30)28(21)15-22(29)26-18-8-6-17(25)7-9-18/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H,26,29)/t16-/m1/s1
InChIKeyFEFMCCGZKWGGIM-MRXNPFEDSA-N
XLogP4.02
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 94070615
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
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-(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-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-(3,4-dimethylphenyl)acetamide
CID 50767546
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 43027565
N-(4-chlorophenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
CID 46385688

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide (CID 94070576) is N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide is C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide?
The InChIKey is FEFMCCGZKWGGIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-16-5-4-12-27(14-16)33(31,32)19-10-11-21-20(13-19)24(2,3)23(30)28(21)15-22(29)26-18-8-6-17(25)7-9-18/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H,26,29)/t16-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide has a molecular weight of 490.03 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 94070576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).