N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide

C19H18N2O3S2 — CID 121019470

IUPACN-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1
InChIInChI=1S/C19H18N2O3S2/c1-25-17-5-3-2-4-15(17)21-19(23)18(22)20-10-8-14-6-7-16(26-14)13-9-11-24-12-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyIPYVWFMYWYOQTJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.03
Rot. Bonds6

About N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide

N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide (PubChem CID 121019470) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
PubChem CID121019470
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1
InChIInChI=1S/C19H18N2O3S2/c1-25-17-5-3-2-4-15(17)21-19(23)18(22)20-10-8-14-6-7-16(26-14)13-9-11-24-12-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyIPYVWFMYWYOQTJ-UHFFFAOYSA-N
XLogP4.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 129355793
2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide
CID 119102178
N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
CID 155801215
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2-thiophen-3-ylacetamide
CID 119102189
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]methanesulfonamide
CID 119102193
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2-oxoimidazolidine-1-carboxamide
CID 121019453
3-[5-(furan-3-yl)thiophen-2-yl]propanoic acid
CID 91585711
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 124760027
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 154576774
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121019439
N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-N'-phenyloxamide
CID 163347218
N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 155801263

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The IUPAC name of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide (CID 121019470) is N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide is CSc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1.
What is the InChIKey of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The InChIKey is IPYVWFMYWYOQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-25-17-5-3-2-4-15(17)21-19(23)18(22)20-10-8-14-6-7-16(26-14)13-9-11-24-12-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide?
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide has a molecular weight of 386.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 121019470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).