5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C17H19NO4S — CID 71889954

IUPAC5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCC(NC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C17H19NO4S/c1-3-12(15-5-4-8-23-15)18-17(19)11-9-13(20-2)16-14(10-11)21-6-7-22-16/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyJVPMBYSSYPGCBX-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.41
Rot. Bonds5

About 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 71889954) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID71889954
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCC(NC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C17H19NO4S/c1-3-12(15-5-4-8-23-15)18-17(19)11-9-13(20-2)16-14(10-11)21-6-7-22-16/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyJVPMBYSSYPGCBX-UHFFFAOYSA-N
XLogP3.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 71889954) is 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is CCC(NC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccs1.
What is the InChIKey of 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is JVPMBYSSYPGCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-12(15-5-4-8-23-15)18-17(19)11-9-13(20-2)16-14(10-11)21-6-7-22-16/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 71889954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).