1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide

C16H24N2O4S — CID 2986012

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-17-16(19)13-6-5-11-18(12-13)23(20,21)15-9-7-14(8-10-15)22-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyCZWYXOWEOMFXPE-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.62
Rot. Bonds6

About 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide

1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide (PubChem CID 2986012) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
PubChem CID2986012
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-17-16(19)13-6-5-11-18(12-13)23(20,21)15-9-7-14(8-10-15)22-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyCZWYXOWEOMFXPE-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874935
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 7263242
N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168008
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168231
1-(4-ethoxyphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 2988575
(3R)-1-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 41302469
N-[3-(4-ethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168291
(3S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98636720
(3R)-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95056916
(3S)-N-(3-cyanophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125047723
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30401595

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide (CID 2986012) is 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
The InChIKey is CZWYXOWEOMFXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-17-16(19)13-6-5-11-18(12-13)23(20,21)15-9-7-14(8-10-15)22-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 2986012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).