N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide

C23H27ClFN3O4S — CID 18574497

IUPACN-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClFN3O4S/c24-18-6-10-21(11-7-18)33(31,32)28-16-2-1-3-20(28)13-15-27-23(30)22(29)26-14-12-17-4-8-19(25)9-5-17/h4-11,20H,1-3,12-16H2,(H,26,29)(H,27,30)
InChIKeyFTATYIUSZQSRFP-UHFFFAOYSA-N
MW496.00 g/mol
LogP2.89
Rot. Bonds8

About N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide

N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide (PubChem CID 18574497) has the molecular formula C23H27ClFN3O4S and a molecular weight of 496.00 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
PubChem CID18574497
Molecular FormulaC23H27ClFN3O4S
Molecular Weight496.00 g/mol
Exact Mass495.14
IUPAC NameN-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClFN3O4S/c24-18-6-10-21(11-7-18)33(31,32)28-16-2-1-3-20(28)13-15-27-23(30)22(29)26-14-12-17-4-8-19(25)9-5-17/h4-11,20H,1-3,12-16H2,(H,26,29)(H,27,30)
InChIKeyFTATYIUSZQSRFP-UHFFFAOYSA-N
XLogP2.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.00
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide (CID 18574497) is N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide is O=C(NCCc1ccc(F)cc1)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is FTATYIUSZQSRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O4S/c24-18-6-10-21(11-7-18)33(31,32)28-16-2-1-3-20(28)13-15-27-23(30)22(29)26-14-12-17-4-8-19(25)9-5-17/h4-11,20H,1-3,12-16H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide?
N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 496.00 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 18574497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).