N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide

C14H13NO3S — CID 1246776

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C14H13NO3S/c1-9-6-10(8-19-9)14(16)15-11-2-3-12-13(7-11)18-5-4-17-12/h2-3,6-8H,4-5H2,1H3,(H,15,16)
InChIKeyIWEFYYXOXITCSS-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.08
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide (PubChem CID 1246776) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide
PubChem CID1246776
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C14H13NO3S/c1-9-6-10(8-19-9)14(16)15-11-2-3-12-13(7-11)18-5-4-17-12/h2-3,6-8H,4-5H2,1H3,(H,15,16)
InChIKeyIWEFYYXOXITCSS-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide (CID 1246776) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is IWEFYYXOXITCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-9-6-10(8-19-9)14(16)15-11-2-3-12-13(7-11)18-5-4-17-12/h2-3,6-8H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1246776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).