5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

C18H14N2O3S2 — CID 23602416

IUPAC5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C18H14N2O3S2/c21-18(20-10-12-4-3-7-19-9-12)15-8-13-11-25(22,23)16-6-2-1-5-14(16)17(13)24-15/h1-9H,10-11H2,(H,20,21)
InChIKeyRUCAZZINIPZOAL-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.03
Rot. Bonds3

About 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602416) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602416
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC Name5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C18H14N2O3S2/c21-18(20-10-12-4-3-7-19-9-12)15-8-13-11-25(22,23)16-6-2-1-5-14(16)17(13)24-15/h1-9H,10-11H2,(H,20,21)
InChIKeyRUCAZZINIPZOAL-UHFFFAOYSA-N
XLogP3.03
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 9467826
N-[(2-chlorophenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602486
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602501
N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602480
N-(2-morpholin-4-ylethyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602413
N-(4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602378
7-bromo-N-[(4-methylphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 138805635
5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171080
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 90764881
7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602693

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602416) is 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is O=C(NCc1cccnc1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2.
What is the InChIKey of 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is RUCAZZINIPZOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c21-18(20-10-12-4-3-7-19-9-12)15-8-13-11-25(22,23)16-6-2-1-5-14(16)17(13)24-15/h1-9H,10-11H2,(H,20,21).
What are the key properties of 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).