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

C22H25F2N3O4S — CID 18574554

IUPACN-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide
SMILESCc1cc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)Nc2cccc(F)c2)ccc1F
InChIInChI=1S/C22H25F2N3O4S/c1-15-13-19(8-9-20(15)24)32(30,31)27-12-3-2-7-18(27)10-11-25-21(28)22(29)26-17-6-4-5-16(23)14-17/h4-6,8-9,13-14,18H,2-3,7,10-12H2,1H3,(H,25,28)(H,26,29)
InChIKeyFZJYNOGQVHJXTQ-UHFFFAOYSA-N
MW465.52 g/mol
LogP2.96
Rot. Bonds6

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

N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide (PubChem CID 18574554) has the molecular formula C22H25F2N3O4S and a molecular weight of 465.52 g/mol. Its IUPAC name is N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide
PubChem CID18574554
Molecular FormulaC22H25F2N3O4S
Molecular Weight465.52 g/mol
Exact Mass465.15
IUPAC NameN-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide
SMILESCc1cc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)Nc2cccc(F)c2)ccc1F
InChIInChI=1S/C22H25F2N3O4S/c1-15-13-19(8-9-20(15)24)32(30,31)27-12-3-2-7-18(27)10-11-25-21(28)22(29)26-17-6-4-5-16(23)14-17/h4-6,8-9,13-14,18H,2-3,7,10-12H2,1H3,(H,25,28)(H,26,29)
InChIKeyFZJYNOGQVHJXTQ-UHFFFAOYSA-N
XLogP2.96
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-difluorophenyl)-N-[2-[(2S)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41196507
N'-(2,4-dimethylphenyl)-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574574
N-[2-[(2S)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methylpropyl)oxamide
CID 11893493
N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide
CID 41196643
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylphenyl)oxamide
CID 27280033
N'-(4-fluorophenyl)-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194512
N'-(2,6-dimethylphenyl)-N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194610
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 18574556
N'-(4-fluorophenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574389
N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 41184462
N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 41196462
N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195983

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
The IUPAC name of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide (CID 18574554) is N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide.
What is the SMILES notation for N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
The canonical SMILES for N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide is Cc1cc(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)Nc2cccc(F)c2)ccc1F.
What is the InChIKey of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
The InChIKey is FZJYNOGQVHJXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4S/c1-15-13-19(8-9-20(15)24)32(30,31)27-12-3-2-7-18(27)10-11-25-21(28)22(29)26-17-6-4-5-16(23)14-17/h4-6,8-9,13-14,18H,2-3,7,10-12H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide has a molecular weight of 465.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide is sourced from PubChem (CID 18574554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).