7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

C18H18N2O4S — CID 127025982

IUPAC7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(=O)n(C)cc(-c3ccc(OC)c(OC)c3)c2s1
InChIInChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
InChIKeyNMMSMXOCHXLFTJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.64
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 127025982) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
PubChem CID127025982
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(=O)n(C)cc(-c3ccc(OC)c(OC)c3)c2s1
InChIInChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
InChIKeyNMMSMXOCHXLFTJ-UHFFFAOYSA-N
XLogP2.64
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (CID 127025982) is 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(=O)n(C)cc(-c3ccc(OC)c(OC)c3)c2s1.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is NMMSMXOCHXLFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21).
What are the key properties of 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?
7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 127025982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).