N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C15H13NO3S2 — CID 4057150

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CSC2
InChIInChI=1S/C15H13NO3S2/c17-15(13-4-10-6-20-7-14(10)21-13)16-5-9-1-2-11-12(3-9)19-8-18-11/h1-4H,5-8H2,(H,16,17)
InChIKeyFUZVZHJKRMUKAU-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.15
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 4057150) has the molecular formula C15H13NO3S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID4057150
Molecular FormulaC15H13NO3S2
Molecular Weight319.41 g/mol
Exact Mass319.03
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CSC2
InChIInChI=1S/C15H13NO3S2/c17-15(13-4-10-6-20-7-14(10)21-13)16-5-9-1-2-11-12(3-9)19-8-18-11/h1-4H,5-8H2,(H,16,17)
InChIKeyFUZVZHJKRMUKAU-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 32920052
N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide
CID 784454
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
[4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone
CID 670283
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-thienyl)acetamide
CID 2970888
N-[2-(3,4-diethoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 8106251
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 4243180
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2-thiophenecarboxamide
CID 2811304
N-(1,3-benzodioxol-5-ylmethyl)-5-chlorothiophene-2-carboxamide
CID 1246747
1-(1,3-Benzodioxol-5-ylmethyl)-4-[3-(2-thienyl)acryloyl]piperazine
CID 1347485

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 4057150) is N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CSC2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is FUZVZHJKRMUKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S2/c17-15(13-4-10-6-20-7-14(10)21-13)16-5-9-1-2-11-12(3-9)19-8-18-11/h1-4H,5-8H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 4057150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).