N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide

C12H12N2O2S2 — CID 155800302

IUPACN'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
SMILESNC(=O)C(=O)NCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C12H12N2O2S2/c13-11(15)12(16)14-6-5-8-3-4-10(18-8)9-2-1-7-17-9/h1-4,7H,5-6H2,(H2,13,15)(H,14,16)
InChIKeyZYVYSYIFOVLZGM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.62
Rot. Bonds4

About N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide

N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide (PubChem CID 155800302) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
PubChem CID155800302
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
SMILESNC(=O)C(=O)NCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C12H12N2O2S2/c13-11(15)12(16)14-6-5-8-3-4-10(18-8)9-2-1-7-17-9/h1-4,7H,5-6H2,(H2,13,15)(H,14,16)
InChIKeyZYVYSYIFOVLZGM-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155800416
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053
2-(4-fluorophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155801397
N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 155801263
4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid
CID 70912798
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide
CID 155801431
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
CID 155800795
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2-(8-bromooctyl)-5-thiophen-2-ylthiophene
CID 11013746
1-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylurea
CID 163347249
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate
CID 86183810

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide (CID 155800302) is N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide is NC(=O)C(=O)NCCc1ccc(-c2cccs2)s1.
What is the InChIKey of N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
The InChIKey is ZYVYSYIFOVLZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c13-11(15)12(16)14-6-5-8-3-4-10(18-8)9-2-1-7-17-9/h1-4,7H,5-6H2,(H2,13,15)(H,14,16).
What are the key properties of N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide has a molecular weight of 280.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 155800302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).