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

C14H11N3O2S — CID 7292760

IUPACN'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C14H11N3O2S/c15-8-10-4-1-2-6-12(10)17-14(19)13(18)16-9-11-5-3-7-20-11/h1-7H,9H2,(H,16,18)(H,17,19)
InChIKeyKENSMPICUAYGIT-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.87
Rot. Bonds3

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

N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 7292760) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID7292760
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C14H11N3O2S/c15-8-10-4-1-2-6-12(10)17-14(19)13(18)16-9-11-5-3-7-20-11/h1-7H,9H2,(H,16,18)(H,17,19)
InChIKeyKENSMPICUAYGIT-UHFFFAOYSA-N
XLogP1.87
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide (CID 7292760) is N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide is N#Cc1ccccc1NC(=O)C(=O)NCc1cccs1.
What is the InChIKey of N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is KENSMPICUAYGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-8-10-4-1-2-6-12(10)17-14(19)13(18)16-9-11-5-3-7-20-11/h1-7H,9H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 285.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 7292760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).