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

C19H15N3O2S2 — CID 155801263

IUPACN'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C19H15N3O2S2/c20-12-13-4-1-2-5-15(13)22-19(24)18(23)21-10-9-14-7-8-17(26-14)16-6-3-11-25-16/h1-8,11H,9-10H2,(H,21,23)(H,22,24)
InChIKeyTYDNJXIYIJRPCY-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.65
Rot. Bonds5

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

N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide (PubChem CID 155801263) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
PubChem CID155801263
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC NameN'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C19H15N3O2S2/c20-12-13-4-1-2-5-15(13)22-19(24)18(23)21-10-9-14-7-8-17(26-14)16-6-3-11-25-16/h1-8,11H,9-10H2,(H,21,23)(H,22,24)
InChIKeyTYDNJXIYIJRPCY-UHFFFAOYSA-N
XLogP3.65
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.65
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-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
CID 155801215
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155800416
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide
CID 119103412
N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222824
N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
CID 108501621
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 121019470
N'-(2-cyanophenyl)-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 99873406
N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-N'-phenyloxamide
CID 163347218

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide (CID 155801263) is N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2cccs2)s1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
The InChIKey is TYDNJXIYIJRPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c20-12-13-4-1-2-5-15(13)22-19(24)18(23)21-10-9-14-7-8-17(26-14)16-6-3-11-25-16/h1-8,11H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide has a molecular weight of 381.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 155801263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).