N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide

C18H17N3O5S2 — CID 27569543

IUPACN'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H17N3O5S2/c22-17(20-11-13-5-1-2-8-19-13)18(23)21-12-15(14-6-3-9-26-14)28(24,25)16-7-4-10-27-16/h1-10,15H,11-12H2,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyGIRWJVOSDGPVAC-HNNXBMFYSA-N
MW419.48 g/mol
LogP1.68
Rot. Bonds7

About N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide

N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 27569543) has the molecular formula C18H17N3O5S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide
PubChem CID27569543
Molecular FormulaC18H17N3O5S2
Molecular Weight419.48 g/mol
Exact Mass419.06
IUPAC NameN'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H17N3O5S2/c22-17(20-11-13-5-1-2-8-19-13)18(23)21-12-15(14-6-3-9-26-14)28(24,25)16-7-4-10-27-16/h1-10,15H,11-12H2,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyGIRWJVOSDGPVAC-HNNXBMFYSA-N
XLogP1.68
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 40778166
N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40775052
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(3-phenylpropyl)oxamide
CID 27558122
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 7268303
N'-cyclohexyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584643
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641
N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555177
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311
N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 22584662
N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 22584011
1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea
CID 110315206

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide (CID 27569543) is N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1.
What is the InChIKey of N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is GIRWJVOSDGPVAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N3O5S2/c22-17(20-11-13-5-1-2-8-19-13)18(23)21-12-15(14-6-3-9-26-14)28(24,25)16-7-4-10-27-16/h1-10,15H,11-12H2,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide?
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 419.48 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 27569543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).