N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide

C19H24N4O4S2 — CID 18574464

IUPACN'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccncc1
InChIInChI=1S/C19H24N4O4S2/c24-18(19(25)22-14-15-6-9-20-10-7-15)21-11-8-16-4-1-2-12-23(16)29(26,27)17-5-3-13-28-17/h3,5-7,9-10,13,16H,1-2,4,8,11-12,14H2,(H,21,24)(H,22,25)
InChIKeyNTBROGCOXBLAEP-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.51
Rot. Bonds7

About N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide

N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide (PubChem CID 18574464) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
PubChem CID18574464
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC NameN'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccncc1
InChIInChI=1S/C19H24N4O4S2/c24-18(19(25)22-14-15-6-9-20-10-7-15)21-11-8-16-4-1-2-12-23(16)29(26,27)17-5-3-13-28-17/h3,5-7,9-10,13,16H,1-2,4,8,11-12,14H2,(H,21,24)(H,22,25)
InChIKeyNTBROGCOXBLAEP-UHFFFAOYSA-N
XLogP1.51
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195608
N'-[2-(4-fluorophenyl)ethyl]-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195687
N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 41184438
N'-(3,5-dimethylphenyl)-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195670
N'-(2-chlorophenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195896
N'-(2,5-dimethylphenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195919
N'-(2,5-dimethylphenyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
CID 16829776
N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide
CID 18561608
N'-(pyridin-4-ylmethyl)-N-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41092850
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-benzyloxamide
CID 41193896
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 18574283
N'-(pyridin-4-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41092815

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
The IUPAC name of N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide (CID 18574464) is N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide is O=C(NCCC1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccncc1.
What is the InChIKey of N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
The InChIKey is NTBROGCOXBLAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c24-18(19(25)22-14-15-6-9-20-10-7-15)21-11-8-16-4-1-2-12-23(16)29(26,27)17-5-3-13-28-17/h3,5-7,9-10,13,16H,1-2,4,8,11-12,14H2,(H,21,24)(H,22,25).
What are the key properties of N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide has a molecular weight of 436.56 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide is sourced from PubChem (CID 18574464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).