N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

C22H33FN4O5S — CID 18574545

IUPACN-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESCc1cc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCCN2CCOCC2)ccc1F
InChIInChI=1S/C22H33FN4O5S/c1-17-16-19(5-6-20(17)23)33(30,31)27-10-3-2-4-18(27)7-8-24-21(28)22(29)25-9-11-26-12-14-32-15-13-26/h5-6,16,18H,2-4,7-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyWUVMKRDKTNUIMI-UHFFFAOYSA-N
MW484.59 g/mol
LogP0.63
Rot. Bonds8

About N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (PubChem CID 18574545) has the molecular formula C22H33FN4O5S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
PubChem CID18574545
Molecular FormulaC22H33FN4O5S
Molecular Weight484.59 g/mol
Exact Mass484.22
IUPAC NameN-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESCc1cc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCCN2CCOCC2)ccc1F
InChIInChI=1S/C22H33FN4O5S/c1-17-16-19(5-6-20(17)23)33(30,31)27-10-3-2-4-18(27)7-8-24-21(28)22(29)25-9-11-26-12-14-32-15-13-26/h5-6,16,18H,2-4,7-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyWUVMKRDKTNUIMI-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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Related Compounds

4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 2355270
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
2-[(2-Benzenesulfonylamino-acetyl)-(2-morpholin-4-yl-ethyl)-amino]-N-tert-butyl-3-methyl-butyramide
CID 3207184
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 4341568
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4850617
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-(3-morpholin-4-yl-propyl)-acetamide
CID 6493539
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((3-((4-fluoro-2-methylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 12005843
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((3-((2,5-dimethylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 12005878
N-[(S)-4-guanidino-1-(morpholine-4-carbonyl)-butyl]-3-trifluoromethyl-benzenesulfonamide
CID 16111857
N1-(3-morpholinopropyl)-N2-((3-tosyloxazolidin-2-yl)methyl)oxalamide
CID 16807599
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(3-morpholinopropyl)oxalamide
CID 16808159
N1-cyclohexyl-N2-((3-((2,5-dimethylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18562559

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (CID 18574545) is N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is Cc1cc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCCN2CCOCC2)ccc1F.
What is the InChIKey of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is WUVMKRDKTNUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O5S/c1-17-16-19(5-6-20(17)23)33(30,31)27-10-3-2-4-18(27)7-8-24-21(28)22(29)25-9-11-26-12-14-32-15-13-26/h5-6,16,18H,2-4,7-15H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
N-[2-[1-(4-fluoro-3-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-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 18574545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).