(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide

C19H30N2O5S — CID 7263242

IUPAC(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1
InChIInChI=1S/C19H30N2O5S/c1-3-25-14-6-12-20-19(22)16-7-5-13-21(15-16)27(23,24)18-10-8-17(9-11-18)26-4-2/h8-11,16H,3-7,12-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyIATLAJFDTRYIPS-INIZCTEOSA-N
MW398.53 g/mol
LogP2.03
Rot. Bonds10

About (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide

(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide (PubChem CID 7263242) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide
PubChem CID7263242
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1
InChIInChI=1S/C19H30N2O5S/c1-3-25-14-6-12-20-19(22)16-7-5-13-21(15-16)27(23,24)18-10-8-17(9-11-18)26-4-2/h8-11,16H,3-7,12-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyIATLAJFDTRYIPS-INIZCTEOSA-N
XLogP2.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 2986012
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408
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
1-(4-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874935
1-methylsulfonyl-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide
CID 133234738
N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168008
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
1-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 55511669
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168231
1-(4-bromophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 24637927

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide (CID 7263242) is (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide is CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1.
What is the InChIKey of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide?
The InChIKey is IATLAJFDTRYIPS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-3-25-14-6-12-20-19(22)16-7-5-13-21(15-16)27(23,24)18-10-8-17(9-11-18)26-4-2/h8-11,16H,3-7,12-15H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide?
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 7263242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).