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

C26H33N3O5S — CID 50767589

IUPAC2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
InChIInChI=1S/C26H33N3O5S/c1-17-10-12-28(13-11-17)35(32,33)19-7-8-22-20(15-19)26(3,4)25(31)29(22)16-24(30)27-21-14-18(2)6-9-23(21)34-5/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,27,30)
InChIKeyICBKGJVYWAJYIA-UHFFFAOYSA-N
MW499.63 g/mol
LogP3.69
Rot. Bonds6

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

2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 50767589) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID50767589
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
InChIInChI=1S/C26H33N3O5S/c1-17-10-12-28(13-11-17)35(32,33)19-7-8-22-20(15-19)26(3,4)25(31)29(22)16-24(30)27-21-14-18(2)6-9-23(21)34-5/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,27,30)
InChIKeyICBKGJVYWAJYIA-UHFFFAOYSA-N
XLogP3.69
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 50767603
2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 50767570
2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
CID 50767803
N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 27211523
2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 50767851
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-(2-methoxy-5-methylphenyl)acetamide
CID 53122555
3,3-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylindol-2-one
CID 50767646
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50767546
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
N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070576

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 50767589) is 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21.
What is the InChIKey of 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is ICBKGJVYWAJYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-17-10-12-28(13-11-17)35(32,33)19-7-8-22-20(15-19)26(3,4)25(31)29(22)16-24(30)27-21-14-18(2)6-9-23(21)34-5/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,27,30).
What are the key properties of 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 499.63 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 50767589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).