N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

C23H29N3O5S — CID 16829706

IUPACN'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O5S/c1-17-10-12-19(13-11-17)32(29,30)26-16-6-5-7-18(26)14-15-24-22(27)23(28)25-20-8-3-4-9-21(20)31-2/h3-4,8-13,18H,5-7,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBFXWORFPSBIKRG-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.69
Rot. Bonds7

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

N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 16829706) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID16829706
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O5S/c1-17-10-12-19(13-11-17)32(29,30)26-16-6-5-7-18(26)14-15-24-22(27)23(28)25-20-8-3-4-9-21(20)31-2/h3-4,8-13,18H,5-7,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBFXWORFPSBIKRG-UHFFFAOYSA-N
XLogP2.69
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.69
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-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 41194254
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 16829692
N'-(2-methoxyphenyl)-N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222495
N'-(2-methoxyphenyl)-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16829877
N-[2-[(2S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 41196850
N'-(2,3-dimethylphenyl)-N-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194985
N'-(2-cyanophenyl)-N-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194830
N-[2-[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 41197061
N-methyl-N'-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280451
N'-(2-fluorophenyl)-N-[2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195131
N'-(2-fluorophenyl)-N-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829719
N'-(2-fluorophenyl)-N-[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195135

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 16829706) is N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is COc1ccccc1NC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is BFXWORFPSBIKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-17-10-12-19(13-11-17)32(29,30)26-16-6-5-7-18(26)14-15-24-22(27)23(28)25-20-8-3-4-9-21(20)31-2/h3-4,8-13,18H,5-7,14-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 459.57 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 16829706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).