N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C25H27N3O5S — CID 39909181

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H27N3O5S/c1-2-32-20-9-11-21(12-10-20)33-24-8-4-3-7-23(24)27-25(29)19-13-16-28(17-14-19)34(30,31)22-6-5-15-26-18-22/h3-12,15,18-19H,2,13-14,16-17H2,1H3,(H,27,29)
InChIKeyZOABJHYFABHHBQ-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.31
Rot. Bonds8

About N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 39909181) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID39909181
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C25H27N3O5S/c1-2-32-20-9-11-21(12-10-20)33-24-8-4-3-7-23(24)27-25(29)19-13-16-28(17-14-19)34(30,31)22-6-5-15-26-18-22/h3-12,15,18-19H,2,13-14,16-17H2,1H3,(H,27,29)
InChIKeyZOABJHYFABHHBQ-UHFFFAOYSA-N
XLogP4.31
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-diethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 5307299
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
1-(4-ethoxyphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521691
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 55641034
N-[4-(4-methylphenoxy)butyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55799620
N-[(2-ethoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55861405
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 24562977
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 39909181) is N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CCOc1ccc(Oc2ccccc2NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZOABJHYFABHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-2-32-20-9-11-21(12-10-20)33-24-8-4-3-7-23(24)27-25(29)19-13-16-28(17-14-19)34(30,31)22-6-5-15-26-18-22/h3-12,15,18-19H,2,13-14,16-17H2,1H3,(H,27,29).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 39909181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).