N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C20H25N3O5S — CID 55678773

IUPACN-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCOc1ncccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C20H25N3O5S/c1-3-28-20-18(7-4-12-21-20)22-19(24)15-6-5-13-23(14-15)29(25,26)17-10-8-16(27-2)9-11-17/h4,7-12,15H,3,5-6,13-14H2,1-2H3,(H,22,24)
InChIKeyXGYIJZHJPUDWEH-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.53
Rot. Bonds7

About N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 55678773) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID55678773
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCOc1ncccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C20H25N3O5S/c1-3-28-20-18(7-4-12-21-20)22-19(24)15-6-5-13-23(14-15)29(25,26)17-10-8-16(27-2)9-11-17/h4,7-12,15H,3,5-6,13-14H2,1-2H3,(H,22,24)
InChIKeyXGYIJZHJPUDWEH-UHFFFAOYSA-N
XLogP2.53
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamido-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24673336
(3S)-N-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302135
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 24624366
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28549881
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
N-(2-benzylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414402
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55692806

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 55678773) is N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is CCOc1ncccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is XGYIJZHJPUDWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-3-28-20-18(7-4-12-21-20)22-19(24)15-6-5-13-23(14-15)29(25,26)17-10-8-16(27-2)9-11-17/h4,7-12,15H,3,5-6,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55678773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).