7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

C22H24N2O6S2 — CID 91668539

IUPAC7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cn(C)c(=O)c3cc(C(=O)NC4CCS(=O)(=O)CC4)sc23)cc1OC
InChIInChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)
InChIKeyZJDRXPZROJHILR-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.59
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 91668539) has the molecular formula C22H24N2O6S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
PubChem CID91668539
Molecular FormulaC22H24N2O6S2
Molecular Weight476.58 g/mol
Exact Mass476.11
IUPAC Name7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cn(C)c(=O)c3cc(C(=O)NC4CCS(=O)(=O)CC4)sc23)cc1OC
InChIInChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)
InChIKeyZJDRXPZROJHILR-UHFFFAOYSA-N
XLogP2.59
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (CID 91668539) is 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is COc1ccc(-c2cn(C)c(=O)c3cc(C(=O)NC4CCS(=O)(=O)CC4)sc23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is ZJDRXPZROJHILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25).
What are the key properties of 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?
7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 91668539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).