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

C24H31N3O5S — CID 16829702

IUPACN'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O5S/c1-18-10-12-21(13-11-18)33(30,31)27-16-6-5-8-20(27)14-15-25-23(28)24(29)26-17-19-7-3-4-9-22(19)32-2/h3-4,7,9-13,20H,5-6,8,14-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDRQRZRZXTKHDQG-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.37
Rot. Bonds8

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

N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (PubChem CID 16829702) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
PubChem CID16829702
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O5S/c1-18-10-12-21(13-11-18)33(30,31)27-16-6-5-8-20(27)14-15-25-23(28)24(29)26-17-19-7-3-4-9-22(19)32-2/h3-4,7,9-13,20H,5-6,8,14-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDRQRZRZXTKHDQG-UHFFFAOYSA-N
XLogP2.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.37
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

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CID 11707647
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2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-3-methylbutanamide
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(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
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Hydroxamate 24
CID 10524562
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
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(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]-4-methylpentanamide
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Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide (CID 16829702) is N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
The InChIKey is DRQRZRZXTKHDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-18-10-12-21(13-11-18)33(30,31)27-16-6-5-8-20(27)14-15-25-23(28)24(29)26-17-19-7-3-4-9-22(19)32-2/h3-4,7,9-13,20H,5-6,8,14-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide?
N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide has a molecular weight of 473.60 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide is sourced from PubChem (CID 16829702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).