N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide

C17H26N2O4S — CID 113007558

IUPACN-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OCC)CC1
InChIInChI=1S/C17H26N2O4S/c1-3-13-24(21,22)19-11-9-14(10-12-19)17(20)18-15-7-5-6-8-16(15)23-4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyNWIJTZMTYQTWJA-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.48
Rot. Bonds7

About N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide

N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 113007558) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID113007558
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OCC)CC1
InChIInChI=1S/C17H26N2O4S/c1-3-13-24(21,22)19-11-9-14(10-12-19)17(20)18-15-7-5-6-8-16(15)23-4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyNWIJTZMTYQTWJA-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 55674924
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 46332156
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
N-(2-propoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26897762
1-(4-tert-butylbenzoyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 126062025

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide (CID 113007558) is N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OCC)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is NWIJTZMTYQTWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-13-24(21,22)19-11-9-14(10-12-19)17(20)18-15-7-5-6-8-16(15)23-4-2/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide?
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113007558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).