N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C15H15NO4S2 — CID 3242919

IUPACN-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C15H15NO4S2/c1-20-12-5-3-2-4-10(12)7-16-15(17)13-6-11-8-22(18,19)9-14(11)21-13/h2-6H,7-9H2,1H3,(H,16,17)
InChIKeyGPWARRGGWLOQPP-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.12
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 3242919) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID3242919
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC NameN-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C15H15NO4S2/c1-20-12-5-3-2-4-10(12)7-16-15(17)13-6-11-8-22(18,19)9-14(11)21-13/h2-6H,7-9H2,1H3,(H,16,17)
InChIKeyGPWARRGGWLOQPP-UHFFFAOYSA-N
XLogP2.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2364677
N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 3846024
N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 7697711
4-[(3-Methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide
CID 20900828
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
N-(2-methoxybenzyl)-3-(thien-2-ylsulfonyl)propanamide
CID 3237297
N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 668923
N-(2-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 18104644
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 665548
5-(4-methoxyphenyl)-N-methyl-2-thiophenecarboxamide
CID 1483382
N-(4-methoxybenzyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5-oxide
CID 3466417

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 3242919) is N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is COc1ccccc1CNC(=O)c1cc2c(s1)CS(=O)(=O)C2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is GPWARRGGWLOQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-20-12-5-3-2-4-10(12)7-16-15(17)13-6-11-8-22(18,19)9-14(11)21-13/h2-6H,7-9H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 3242919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).