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

C24H30FN3O4S — CID 41197054

IUPACN'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C24H30FN3O4S/c1-16-7-6-9-21(18(16)3)27-24(30)23(29)26-13-12-20-8-4-5-14-28(20)33(31,32)22-11-10-19(25)15-17(22)2/h6-7,9-11,15,20H,4-5,8,12-14H2,1-3H3,(H,26,29)(H,27,30)/t20-/m1/s1
InChIKeyRRQSSMTWNGZYNI-HXUWFJFHSA-N
MW475.59 g/mol
LogP3.44
Rot. Bonds6

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

N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 41197054) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID41197054
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC NameN'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C24H30FN3O4S/c1-16-7-6-9-21(18(16)3)27-24(30)23(29)26-13-12-20-8-4-5-14-28(20)33(31,32)22-11-10-19(25)15-17(22)2/h6-7,9-11,15,20H,4-5,8,12-14H2,1-3H3,(H,26,29)(H,27,30)/t20-/m1/s1
InChIKeyRRQSSMTWNGZYNI-HXUWFJFHSA-N
XLogP3.44
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.44
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'-(2-methoxyphenyl)oxamide
CID 41197061
N'-[2-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-methyloxamide
CID 18574628
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(4-fluorophenyl)oxamide
CID 41196991
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylphenyl)oxamide
CID 27280033
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-phenylethyl)oxamide
CID 41197046
N'-[2-(dimethylamino)ethyl]-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41196962
N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194985
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'-(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'-(2,6-dimethylphenyl)-N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194610
N'-(2,4-difluorophenyl)-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574423

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 41197054) is N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is RRQSSMTWNGZYNI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c1-16-7-6-9-21(18(16)3)27-24(30)23(29)26-13-12-20-8-4-5-14-28(20)33(31,32)22-11-10-19(25)15-17(22)2/h6-7,9-11,15,20H,4-5,8,12-14H2,1-3H3,(H,26,29)(H,27,30)/t20-/m1/s1.
What are the key properties of N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 475.59 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 41197054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).