1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide

C19H31N3O4S — CID 22553021

IUPAC1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(S(=O)(=O)N(CC)c2ccc(OCC)cc2)C1
InChIInChI=1S/C19H31N3O4S/c1-4-13-20-19(23)16-8-7-14-21(15-16)27(24,25)22(5-2)17-9-11-18(12-10-17)26-6-3/h9-12,16H,4-8,13-15H2,1-3H3,(H,20,23)
InChIKeyKJOBWYGVELUXFO-UHFFFAOYSA-N
MW397.54 g/mol
LogP2.39
Rot. Bonds9

About 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide

1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide (PubChem CID 22553021) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
PubChem CID22553021
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC Name1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(S(=O)(=O)N(CC)c2ccc(OCC)cc2)C1
InChIInChI=1S/C19H31N3O4S/c1-4-13-20-19(23)16-8-7-14-21(15-16)27(24,25)22(5-2)17-9-11-18(12-10-17)26-6-3/h9-12,16H,4-8,13-15H2,1-3H3,(H,20,23)
InChIKeyKJOBWYGVELUXFO-UHFFFAOYSA-N
XLogP2.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 92687172
(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92687219
(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 93050150
(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92687154
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 92687218
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 93177425
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552950
(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 124771785
1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 2986012
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-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552953

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide (CID 22553021) is 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(S(=O)(=O)N(CC)c2ccc(OCC)cc2)C1.
What is the InChIKey of 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is KJOBWYGVELUXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-4-13-20-19(23)16-8-7-14-21(15-16)27(24,25)22(5-2)17-9-11-18(12-10-17)26-6-3/h9-12,16H,4-8,13-15H2,1-3H3,(H,20,23).
What are the key properties of 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide?
1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 22553021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).