N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide

C13H14N2O4S — CID 95986749

IUPACN'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccoc1
InChIInChI=1S/C13H14N2O4S/c16-11(9-3-4-19-8-9)7-15-13(18)12(17)14-6-10-2-1-5-20-10/h1-5,8,11,16H,6-7H2,(H,14,17)(H,15,18)/t11-/m0/s1
InChIKeyYSZXLENJNNMQJS-NSHDSACASA-N
MW294.33 g/mol
LogP0.81
Rot. Bonds5

About N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 95986749) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID95986749
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccoc1
InChIInChI=1S/C13H14N2O4S/c16-11(9-3-4-19-8-9)7-15-13(18)12(17)14-6-10-2-1-5-20-10/h1-5,8,11,16H,6-7H2,(H,14,17)(H,15,18)/t11-/m0/s1
InChIKeyYSZXLENJNNMQJS-NSHDSACASA-N
XLogP0.81
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 95986749) is N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccoc1.
What is the InChIKey of N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is YSZXLENJNNMQJS-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-11(9-3-4-19-8-9)7-15-13(18)12(17)14-6-10-2-1-5-20-10/h1-5,8,11,16H,6-7H2,(H,14,17)(H,15,18)/t11-/m0/s1.
What are the key properties of N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 294.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 95986749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).