N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide

C17H16N2O5S — CID 126850773

IUPACN'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC(O)(c1ccsc1)c1ccco1
InChIInChI=1S/C17H16N2O5S/c20-15(18-9-13-3-1-6-23-13)16(21)19-11-17(22,12-5-8-25-10-12)14-4-2-7-24-14/h1-8,10,22H,9,11H2,(H,18,20)(H,19,21)
InChIKeyDWJXKLLZDCZBIR-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.60
Rot. Bonds6

About N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide

N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide (PubChem CID 126850773) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
PubChem CID126850773
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC(O)(c1ccsc1)c1ccco1
InChIInChI=1S/C17H16N2O5S/c20-15(18-9-13-3-1-6-23-13)16(21)19-11-17(22,12-5-8-25-10-12)14-4-2-7-24-14/h1-8,10,22H,9,11H2,(H,18,20)(H,19,21)
InChIKeyDWJXKLLZDCZBIR-UHFFFAOYSA-N
XLogP1.60
TPSA104.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 119101151
N'-(2,5-difluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 124760719
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 124891179
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 121018387
N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide
CID 121085924
3-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzamide
CID 124759774
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 126852459

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide (CID 126850773) is N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)NCC(O)(c1ccsc1)c1ccco1.
What is the InChIKey of N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is DWJXKLLZDCZBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c20-15(18-9-13-3-1-6-23-13)16(21)19-11-17(22,12-5-8-25-10-12)14-4-2-7-24-14/h1-8,10,22H,9,11H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide?
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 360.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 126850773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).