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

C12H12N2O4S — CID 129418002

IUPACN'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
SMILESNC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C12H12N2O4S/c13-10(15)11(16)14-7-12(17,8-3-4-18-6-8)9-2-1-5-19-9/h1-6,17H,7H2,(H2,13,15)(H,14,16)/t12-/m1/s1
InChIKeyVZBPRJFOQOUPOG-GFCCVEGCSA-N
MW280.31 g/mol
LogP0.18
Rot. Bonds4

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

N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide (PubChem CID 129418002) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
PubChem CID129418002
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC NameN'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
SMILESNC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C12H12N2O4S/c13-10(15)11(16)14-7-12(17,8-3-4-18-6-8)9-2-1-5-19-9/h1-6,17H,7H2,(H2,13,15)(H,14,16)/t12-/m1/s1
InChIKeyVZBPRJFOQOUPOG-GFCCVEGCSA-N
XLogP0.18
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.18
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

N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 124760027
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121018502
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124727787
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide
CID 129418180
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 124728029
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 124892133

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide (CID 129418002) is N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide is NC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1.
What is the InChIKey of N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide?
The InChIKey is VZBPRJFOQOUPOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12N2O4S/c13-10(15)11(16)14-7-12(17,8-3-4-18-6-8)9-2-1-5-19-9/h1-6,17H,7H2,(H2,13,15)(H,14,16)/t12-/m1/s1.
What are the key properties of N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide?
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide has a molecular weight of 280.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 129418002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).