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

C22H27FN4O4S — CID 41184462

IUPACN-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESCc1cc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2cccnc2)ccc1F
InChIInChI=1S/C22H27FN4O4S/c1-16-13-19(7-8-20(16)23)32(30,31)27-12-3-2-6-18(27)9-11-25-21(28)22(29)26-15-17-5-4-10-24-14-17/h4-5,7-8,10,13-14,18H,2-3,6,9,11-12,15H2,1H3,(H,25,28)(H,26,29)/t18-/m1/s1
InChIKeyWOMMDHSBJRAROT-GOSISDBHSA-N
MW462.55 g/mol
LogP1.90
Rot. Bonds7

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

N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 41184462) has the molecular formula C22H27FN4O4S and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID41184462
Molecular FormulaC22H27FN4O4S
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC NameN-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESCc1cc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2cccnc2)ccc1F
InChIInChI=1S/C22H27FN4O4S/c1-16-13-19(7-8-20(16)23)32(30,31)27-12-3-2-6-18(27)9-11-25-21(28)22(29)26-15-17-5-4-10-24-14-17/h4-5,7-8,10,13-14,18H,2-3,6,9,11-12,15H2,1H3,(H,25,28)(H,26,29)/t18-/m1/s1
InChIKeyWOMMDHSBJRAROT-GOSISDBHSA-N
XLogP1.90
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide
CID 41196643
N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 41196462
N-[2-[(2S)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methylpropyl)oxamide
CID 11893493
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 18574556
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-fluorophenyl)oxamide
CID 18574554
N'-(2,4-dimethylphenyl)-N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574574
N'-(2,4-difluorophenyl)-N-[2-[(2S)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41196507
N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 41184438
N'-benzyl-N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195957
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-benzyloxamide
CID 41193896
N'-[(4-chlorophenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574366
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide
CID 18574361

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide (CID 41184462) is N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide is Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2cccnc2)ccc1F.
What is the InChIKey of N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is WOMMDHSBJRAROT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27FN4O4S/c1-16-13-19(7-8-20(16)23)32(30,31)27-12-3-2-6-18(27)9-11-25-21(28)22(29)26-15-17-5-4-10-24-14-17/h4-5,7-8,10,13-14,18H,2-3,6,9,11-12,15H2,1H3,(H,25,28)(H,26,29)/t18-/m1/s1.
What are the key properties of N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide?
N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 462.55 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 41184462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).