2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide

C20H25N5O4S — CID 126953379

IUPAC2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cccc3c2ccn3CC(N)=O)CC1
InChIInChI=1S/C20H25N5O4S/c1-13-20(14(2)23-22-13)30(27,28)25-10-6-15(7-11-25)29-18-5-3-4-17-16(18)8-9-24(17)12-19(21)26/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H2,21,26)(H,22,23)
InChIKeyGQQYWXOVXBHSNZ-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.70
Rot. Bonds6

About 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide

2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide (PubChem CID 126953379) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
PubChem CID126953379
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cccc3c2ccn3CC(N)=O)CC1
InChIInChI=1S/C20H25N5O4S/c1-13-20(14(2)23-22-13)30(27,28)25-10-6-15(7-11-25)29-18-5-3-4-17-16(18)8-9-24(17)12-19(21)26/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H2,21,26)(H,22,23)
InChIKeyGQQYWXOVXBHSNZ-UHFFFAOYSA-N
XLogP1.70
TPSA123.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953374
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenoxypiperidine
CID 90025029
2-[4-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
2-[4-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953538
2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953524
2-[4-[1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953334
2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953392
4-(2,4-dichlorophenoxy)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549322
2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953472
2-[4-[1-(2-oxopiperidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953535
2-[4-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953596

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide (CID 126953379) is 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cccc3c2ccn3CC(N)=O)CC1.
What is the InChIKey of 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The InChIKey is GQQYWXOVXBHSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-13-20(14(2)23-22-13)30(27,28)25-10-6-15(7-11-25)29-18-5-3-4-17-16(18)8-9-24(17)12-19(21)26/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H2,21,26)(H,22,23).
What are the key properties of 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide has a molecular weight of 431.52 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide is sourced from PubChem (CID 126953379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).