N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide

C17H24FN3O4S — CID 18574628

IUPACN'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H24FN3O4S/c1-12-11-13(18)6-7-15(12)26(24,25)21-10-4-3-5-14(21)8-9-20-17(23)16(22)19-2/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIYOMTCIVMTXMPJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP0.93
Rot. Bonds5

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

N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide (PubChem CID 18574628) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide
PubChem CID18574628
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC NameN'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H24FN3O4S/c1-12-11-13(18)6-7-15(12)26(24,25)21-10-4-3-5-14(21)8-9-20-17(23)16(22)19-2/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIYOMTCIVMTXMPJ-UHFFFAOYSA-N
XLogP0.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.93
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-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(4-fluorophenyl)oxamide
CID 41196991
N'-[2-(dimethylamino)ethyl]-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41196962
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-phenylethyl)oxamide
CID 41197046
N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41197054
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylphenyl)oxamide
CID 27280033
N-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 16829816
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 41197061
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(furan-2-ylmethyl)oxamide
CID 41197026
1-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
CID 41197033
N-methyl-N'-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280451
N'-(2,4-difluorophenyl)-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574423
N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
CID 7280249

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide?
The IUPAC name of N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide (CID 18574628) is N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide.
What is the SMILES notation for N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide?
The canonical SMILES for N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide is CNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide?
The InChIKey is IYOMTCIVMTXMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-12-11-13(18)6-7-15(12)26(24,25)21-10-4-3-5-14(21)8-9-20-17(23)16(22)19-2/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide?
N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide has a molecular weight of 385.46 g/mol, XLogP of 0.93, 5 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-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide is sourced from PubChem (CID 18574628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).