N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

C21H23Cl2N3O4S — CID 41195983

IUPACN'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESO=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O4S/c22-15-4-8-17(9-5-15)25-21(28)20(27)24-13-12-18-3-1-2-14-26(18)31(29,30)19-10-6-16(23)7-11-19/h4-11,18H,1-3,12-14H2,(H,24,27)(H,25,28)/t18-/m0/s1
InChIKeyLYPRAHVOBXUHKE-SFHVURJKSA-N
MW484.41 g/mol
LogP3.68
Rot. Bonds6

About N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 41195983) has the molecular formula C21H23Cl2N3O4S and a molecular weight of 484.41 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID41195983
Molecular FormulaC21H23Cl2N3O4S
Molecular Weight484.41 g/mol
Exact Mass483.08
IUPAC NameN'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESO=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O4S/c22-15-4-8-17(9-5-15)25-21(28)20(27)24-13-12-18-3-1-2-14-26(18)31(29,30)19-10-6-16(23)7-11-19/h4-11,18H,1-3,12-14H2,(H,24,27)(H,25,28)/t18-/m0/s1
InChIKeyLYPRAHVOBXUHKE-SFHVURJKSA-N
XLogP3.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.41
LogP ≤ 53.68
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'-(4-fluorophenyl)-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194512
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide
CID 41195965
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 41196224
1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194713
N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide
CID 41196002
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 41196258
N'-(4-fluorophenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574389
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(4-fluorophenyl)oxamide
CID 41194131
N'-benzyl-N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195957
N'-[(4-chlorophenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574366
4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide
CID 166347794
N-methyl-N'-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280451

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 41195983) is N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is LYPRAHVOBXUHKE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4S/c22-15-4-8-17(9-5-15)25-21(28)20(27)24-13-12-18-3-1-2-14-26(18)31(29,30)19-10-6-16(23)7-11-19/h4-11,18H,1-3,12-14H2,(H,24,27)(H,25,28)/t18-/m0/s1.
What are the key properties of N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 484.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 41195983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).