N,N'-bis(thiophen-2-ylmethyl)oxamide

C12H12N2O2S2 — CID 6421749

IUPACN,N'-bis(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCc1cccs1
InChIInChI=1S/C12H12N2O2S2/c15-11(13-7-9-3-1-5-17-9)12(16)14-8-10-4-2-6-18-10/h1-6H,7-8H2,(H,13,15)(H,14,16)
InChIKeyNOSYGNWELJYIQH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.74
Rot. Bonds4

About N,N'-bis(thiophen-2-ylmethyl)oxamide

N,N'-bis(thiophen-2-ylmethyl)oxamide (PubChem CID 6421749) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N,N'-bis(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(thiophen-2-ylmethyl)oxamide
PubChem CID6421749
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN,N'-bis(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCc1cccs1
InChIInChI=1S/C12H12N2O2S2/c15-11(13-7-9-3-1-5-17-9)12(16)14-8-10-4-2-6-18-10/h1-6H,7-8H2,(H,13,15)(H,14,16)
InChIKeyNOSYGNWELJYIQH-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 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 ≤ 51.74
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

2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97257633
N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47457450
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N'-[2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 71798386
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47148033
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 42335583
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 18567084

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N,N'-bis(thiophen-2-ylmethyl)oxamide (CID 6421749) is N,N'-bis(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N,N'-bis(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N,N'-bis(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)NCc1cccs1.
What is the InChIKey of N,N'-bis(thiophen-2-ylmethyl)oxamide?
The InChIKey is NOSYGNWELJYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c15-11(13-7-9-3-1-5-17-9)12(16)14-8-10-4-2-6-18-10/h1-6H,7-8H2,(H,13,15)(H,14,16).
What are the key properties of N,N'-bis(thiophen-2-ylmethyl)oxamide?
N,N'-bis(thiophen-2-ylmethyl)oxamide has a molecular weight of 280.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 6421749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).