5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C19H16N2O3S — CID 32977769

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C19H16N2O3S/c22-19(21-12-13-2-1-7-20-11-13)18-6-5-17(25-18)14-3-4-15-16(10-14)24-9-8-23-15/h1-7,10-11H,8-9,12H2,(H,21,22)
InChIKeyVUURKBIXAZRNSO-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.51
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 32977769) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID32977769
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C19H16N2O3S/c22-19(21-12-13-2-1-7-20-11-13)18-6-5-17(25-18)14-3-4-15-16(10-14)24-9-8-23-15/h1-7,10-11H,8-9,12H2,(H,21,22)
InChIKeyVUURKBIXAZRNSO-UHFFFAOYSA-N
XLogP3.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 32977769) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cccnc1)c1ccc(-c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VUURKBIXAZRNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-19(21-12-13-2-1-7-20-11-13)18-6-5-17(25-18)14-3-4-15-16(10-14)24-9-8-23-15/h1-7,10-11H,8-9,12H2,(H,21,22).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 32977769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).