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

C24H29N3O4S — CID 50767639

IUPAC2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H29N3O4S/c1-17-9-5-6-10-20(17)25-22(28)16-27-21-12-11-18(15-19(21)24(2,3)23(27)29)32(30,31)26-13-7-4-8-14-26/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,25,28)
InChIKeyWTCRPPPSTNPRLV-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.43
Rot. Bonds5

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

2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide (PubChem CID 50767639) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
PubChem CID50767639
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H29N3O4S/c1-17-9-5-6-10-20(17)25-22(28)16-27-21-12-11-18(15-19(21)24(2,3)23(27)29)32(30,31)26-13-7-4-8-14-26/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,25,28)
InChIKeyWTCRPPPSTNPRLV-UHFFFAOYSA-N
XLogP3.43
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
CID 50767803
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50767546
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 50767830
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-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-(2-ethylphenyl)acetamide
CID 50767837
N-(2-methylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 50794705
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 22583332
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-phenylpropyl)acetamide
CID 50767600
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-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92714844

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide (CID 50767639) is 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is WTCRPPPSTNPRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-9-5-6-10-20(17)25-22(28)16-27-21-12-11-18(15-19(21)24(2,3)23(27)29)32(30,31)26-13-7-4-8-14-26/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,25,28).
What are the key properties of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide?
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 455.58 g/mol, XLogP of 3.43, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 50767639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).