N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide

C15H14N2O4S — CID 7584931

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O4S/c18-14(16-9-11-2-1-7-22-11)15(19)17-10-3-4-12-13(8-10)21-6-5-20-12/h1-4,7-8H,5-6,9H2,(H,16,18)(H,17,19)
InChIKeyWLQPZFIKHUHRAO-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.77
Rot. Bonds3

About N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 7584931) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID7584931
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O4S/c18-14(16-9-11-2-1-7-22-11)15(19)17-10-3-4-12-13(8-10)21-6-5-20-12/h1-4,7-8H,5-6,9H2,(H,16,18)(H,17,19)
InChIKeyWLQPZFIKHUHRAO-UHFFFAOYSA-N
XLogP1.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide (CID 7584931) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is WLQPZFIKHUHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-14(16-9-11-2-1-7-22-11)15(19)17-10-3-4-12-13(8-10)21-6-5-20-12/h1-4,7-8H,5-6,9H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 318.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 7584931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).