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

C12H16N2O3S — CID 2931908

IUPACN-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC1CCCO1
InChIInChI=1S/C12H16N2O3S/c15-11(13-7-9-3-1-5-17-9)12(16)14-8-10-4-2-6-18-10/h2,4,6,9H,1,3,5,7-8H2,(H,13,15)(H,14,16)
InChIKeyJXALYTDSCMQQEM-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.66
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 2931908) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID2931908
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC1CCCO1
InChIInChI=1S/C12H16N2O3S/c15-11(13-7-9-3-1-5-17-9)12(16)14-8-10-4-2-6-18-10/h2,4,6,9H,1,3,5,7-8H2,(H,13,15)(H,14,16)
InChIKeyJXALYTDSCMQQEM-UHFFFAOYSA-N
XLogP0.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.66
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-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide (CID 2931908) is N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is JXALYTDSCMQQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(13-7-9-3-1-5-17-9)12(16)14-8-10-4-2-6-18-10/h2,4,6,9H,1,3,5,7-8H2,(H,13,15)(H,14,16).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide?
N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 268.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 2931908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).