N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide

C23H29N3O5S — CID 41194156

IUPACN-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H29N3O5S/c1-31-20-10-7-8-18(16-20)17-25-23(28)22(27)24-14-13-19-9-5-6-15-26(19)32(29,30)21-11-3-2-4-12-21/h2-4,7-8,10-12,16,19H,5-6,9,13-15,17H2,1H3,(H,24,27)(H,25,28)/t19-/m1/s1
InChIKeyCIANMPALSZPWSM-LJQANCHMSA-N
MW459.57 g/mol
LogP2.06
Rot. Bonds8

About N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide

N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide (PubChem CID 41194156) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
PubChem CID41194156
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H29N3O5S/c1-31-20-10-7-8-18(16-20)17-25-23(28)22(27)24-14-13-19-9-5-6-15-26(19)32(29,30)21-11-3-2-4-12-21/h2-4,7-8,10-12,16,19H,5-6,9,13-15,17H2,1H3,(H,24,27)(H,25,28)/t19-/m1/s1
InChIKeyCIANMPALSZPWSM-LJQANCHMSA-N
XLogP2.06
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.06
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-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 41194152
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-benzyloxamide
CID 41193896
N'-benzyl-N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195957
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 42065113
N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
CID 7280249
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(2-methoxyphenyl)ethyl]oxamide
CID 16829673
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 41194254
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 18574283
N-[2-[(2R)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 41196462
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
CID 18574278
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-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide (CID 41194156) is N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide is COc1cccc(CNC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
The InChIKey is CIANMPALSZPWSM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-31-20-10-7-8-18(16-20)17-25-23(28)22(27)24-14-13-19-9-5-6-15-26(19)32(29,30)21-11-3-2-4-12-21/h2-4,7-8,10-12,16,19H,5-6,9,13-15,17H2,1H3,(H,24,27)(H,25,28)/t19-/m1/s1.
What are the key properties of N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide?
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide has a molecular weight of 459.57 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 41194156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).