N-methyl-N'-(thiophen-2-ylmethyl)oxamide

C8H10N2O2S — CID 40805400

IUPACN-methyl-N'-(thiophen-2-ylmethyl)oxamide
SMILESCNC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C8H10N2O2S/c1-9-7(11)8(12)10-5-6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,11)(H,10,12)
InChIKeyLIHUEHMQOZYQSQ-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.11
Rot. Bonds2

About N-methyl-N'-(thiophen-2-ylmethyl)oxamide

N-methyl-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 40805400) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-methyl-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-methyl-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID40805400
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-methyl-N'-(thiophen-2-ylmethyl)oxamide
SMILESCNC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C8H10N2O2S/c1-9-7(11)8(12)10-5-6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,11)(H,10,12)
InChIKeyLIHUEHMQOZYQSQ-UHFFFAOYSA-N
XLogP0.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-methyl-N'-(thiophen-2-ylmethyl)oxamide (CID 40805400) is N-methyl-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-methyl-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-methyl-N'-(thiophen-2-ylmethyl)oxamide is CNC(=O)C(=O)NCc1cccs1.
What is the InChIKey of N-methyl-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is LIHUEHMQOZYQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-9-7(11)8(12)10-5-6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-methyl-N'-(thiophen-2-ylmethyl)oxamide?
N-methyl-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 198.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 40805400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).