N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

C22H33FN4O5S — CID 18574614

IUPACN-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCCC1CCNC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H33FN4O5S/c1-17-16-18(23)5-6-20(17)33(30,31)27-10-3-2-4-19(27)7-8-24-21(28)22(29)25-9-11-26-12-14-32-15-13-26/h5-6,16,19H,2-4,7-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyCJCXUFDYXAKJGT-UHFFFAOYSA-N
MW484.59 g/mol
LogP0.63
Rot. Bonds8

About N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (PubChem CID 18574614) has the molecular formula C22H33FN4O5S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
PubChem CID18574614
Molecular FormulaC22H33FN4O5S
Molecular Weight484.59 g/mol
Exact Mass484.22
IUPAC NameN-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCCC1CCNC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H33FN4O5S/c1-17-16-18(23)5-6-20(17)33(30,31)27-10-3-2-4-19(27)7-8-24-21(28)22(29)25-9-11-26-12-14-32-15-13-26/h5-6,16,19H,2-4,7-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyCJCXUFDYXAKJGT-UHFFFAOYSA-N
XLogP0.63
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (CID 18574614) is N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is Cc1cc(F)ccc1S(=O)(=O)N1CCCCC1CCNC(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is CJCXUFDYXAKJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O5S/c1-17-16-18(23)5-6-20(17)33(30,31)27-10-3-2-4-19(27)7-8-24-21(28)22(29)25-9-11-26-12-14-32-15-13-26/h5-6,16,19H,2-4,7-15H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 484.59 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 18574614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).