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

C14H13NO3S — CID 4012023

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13NO3S/c1-9-4-7-19-13(9)14(16)15-10-2-3-11-12(8-10)18-6-5-17-11/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyWWOQNJVDQYBSQU-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.08
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide (PubChem CID 4012023) 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)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide
PubChem CID4012023
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13NO3S/c1-9-4-7-19-13(9)14(16)15-10-2-3-11-12(8-10)18-6-5-17-11/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyWWOQNJVDQYBSQU-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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Related Compounds

N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(Benzo[d][1,3]dioxol-5-yl)thiophene-2-carboxamide
CID 692194
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylsulfanylacetamide
CID 2121892
2-((3-Methoxyphenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 2352927
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
CID 2478312
N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4879656
N-(4,5-dimethoxy-2-methylphenyl)-2-thiophen-3-ylacetamide
CID 7751189
N-(3,4-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 798384
N-(3-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 898929

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide (CID 4012023) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is WWOQNJVDQYBSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-9-4-7-19-13(9)14(16)15-10-2-3-11-12(8-10)18-6-5-17-11/h2-4,7-8H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-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)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 4012023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).