2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide

C19H20N2O2S — CID 20657879

IUPAC2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(C)c3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-11-5-7-14(8-6-11)9-20-18(23)15-10-21(4)19-16(17(15)22)12(2)13(3)24-19/h5-8,10H,9H2,1-4H3,(H,20,23)
InChIKeyTVSMSQZAUPMNKE-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.46
Rot. Bonds3

About 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide

2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide (PubChem CID 20657879) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide
PubChem CID20657879
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(C)c3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-11-5-7-14(8-6-11)9-20-18(23)15-10-21(4)19-16(17(15)22)12(2)13(3)24-19/h5-8,10H,9H2,1-4H3,(H,20,23)
InChIKeyTVSMSQZAUPMNKE-UHFFFAOYSA-N
XLogP3.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide (CID 20657879) is 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide is Cc1ccc(CNC(=O)c2cn(C)c3sc(C)c(C)c3c2=O)cc1.
What is the InChIKey of 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is TVSMSQZAUPMNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-11-5-7-14(8-6-11)9-20-18(23)15-10-21(4)19-16(17(15)22)12(2)13(3)24-19/h5-8,10H,9H2,1-4H3,(H,20,23).
What are the key properties of 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide?
2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 20657879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).