N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

C20H28N4O4S — CID 5309400

IUPACN-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C20H28N4O4S/c1-5-28-18-9-7-6-8-17(18)21-20(25)16-10-12-24(13-11-16)29(26,27)19-14(2)22-23(4)15(19)3/h6-9,16H,5,10-13H2,1-4H3,(H,21,25)
InChIKeySIKZFQOUTPCHOP-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.48
Rot. Bonds6

About N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 5309400) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID5309400
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C20H28N4O4S/c1-5-28-18-9-7-6-8-17(18)21-20(25)16-10-12-24(13-11-16)29(26,27)19-14(2)22-23(4)15(19)3/h6-9,16H,5,10-13H2,1-4H3,(H,21,25)
InChIKeySIKZFQOUTPCHOP-UHFFFAOYSA-N
XLogP2.48
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 5309400) is N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SIKZFQOUTPCHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-5-28-18-9-7-6-8-17(18)21-20(25)16-10-12-24(13-11-16)29(26,27)19-14(2)22-23(4)15(19)3/h6-9,16H,5,10-13H2,1-4H3,(H,21,25).
What are the key properties of N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).