N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide

C16H20N2O4S — CID 122160839

IUPACN'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide
SMILESO=C(NCCC(CCO)c1ccsc1)C(=O)NCc1ccco1
InChIInChI=1S/C16H20N2O4S/c19-7-4-12(13-5-9-23-11-13)3-6-17-15(20)16(21)18-10-14-2-1-8-22-14/h1-2,5,8-9,11-12,19H,3-4,6-7,10H2,(H,17,20)(H,18,21)
InChIKeyIVEZDOXDFNKUDN-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.63
Rot. Bonds8

About N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide

N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide (PubChem CID 122160839) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide
PubChem CID122160839
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide
SMILESO=C(NCCC(CCO)c1ccsc1)C(=O)NCc1ccco1
InChIInChI=1S/C16H20N2O4S/c19-7-4-12(13-5-9-23-11-13)3-6-17-15(20)16(21)18-10-14-2-1-8-22-14/h1-2,5,8-9,11-12,19H,3-4,6-7,10H2,(H,17,20)(H,18,21)
InChIKeyIVEZDOXDFNKUDN-UHFFFAOYSA-N
XLogP1.63
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
CID 122160784
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106434972
2-bromo-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzamide
CID 122160805
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 126852200
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide (CID 122160839) is N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide is O=C(NCCC(CCO)c1ccsc1)C(=O)NCc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide?
The InChIKey is IVEZDOXDFNKUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-7-4-12(13-5-9-23-11-13)3-6-17-15(20)16(21)18-10-14-2-1-8-22-14/h1-2,5,8-9,11-12,19H,3-4,6-7,10H2,(H,17,20)(H,18,21).
What are the key properties of N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide?
N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide has a molecular weight of 336.41 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide is sourced from PubChem (CID 122160839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).