1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide

C24H31ClN2O4S — CID 133189542

IUPAC1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide
SMILESCCCOc1ccccc1CCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H31ClN2O4S/c1-2-17-31-23-10-4-3-7-19(23)8-5-15-26-24(28)20-9-6-16-27(18-20)32(29,30)22-13-11-21(25)12-14-22/h3-4,7,10-14,20H,2,5-6,8-9,15-18H2,1H3,(H,26,28)
InChIKeyCCSVOEXLJAOCAT-UHFFFAOYSA-N
MW479.04 g/mol
LogP4.28
Rot. Bonds10

About 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide (PubChem CID 133189542) has the molecular formula C24H31ClN2O4S and a molecular weight of 479.04 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide
PubChem CID133189542
Molecular FormulaC24H31ClN2O4S
Molecular Weight479.04 g/mol
Exact Mass478.17
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide
SMILESCCCOc1ccccc1CCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H31ClN2O4S/c1-2-17-31-23-10-4-3-7-19(23)8-5-15-26-24(28)20-9-6-16-27(18-20)32(29,30)22-13-11-21(25)12-14-22/h3-4,7,10-14,20H,2,5-6,8-9,15-18H2,1H3,(H,26,28)
InChIKeyCCSVOEXLJAOCAT-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.04
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[3-(2-ethoxyphenyl)propyl]piperidine-3-carboxamide
CID 100659406
(3R)-N-[3-(2-chlorophenyl)propyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100675499
(3R)-N-[3-(2-ethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669289
1-(4-chlorophenyl)sulfonyl-N-[3-(3,4-dimethoxyphenyl)propyl]piperidine-3-carboxamide
CID 133189543
1-(4-chlorophenyl)sulfonyl-N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 55920266
(3S)-N-[3-(2-chlorophenyl)propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 95119030
(3S)-1-(4-chlorophenyl)sulfonyl-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 100675858
1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 42936696
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
ethyl N-[2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558612
(3S)-N-[3-(2-ethoxyphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019320
N-[3-(2-ethoxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648316

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide (CID 133189542) is 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide is CCCOc1ccccc1CCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is CCSVOEXLJAOCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O4S/c1-2-17-31-23-10-4-3-7-19(23)8-5-15-26-24(28)20-9-6-16-27(18-20)32(29,30)22-13-11-21(25)12-14-22/h3-4,7,10-14,20H,2,5-6,8-9,15-18H2,1H3,(H,26,28).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 479.04 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 133189542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).