2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine

C20H16N2O2S2 — CID 1312940

IUPAC2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine
SMILESCS(=O)(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C20H16N2O2S2/c1-26(23,24)20-18(21)17-15(13-8-4-2-5-9-13)12-16(22-19(17)25-20)14-10-6-3-7-11-14/h2-12H,21H2,1H3
InChIKeyPPTOYHNJRVKJGO-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.62
Rot. Bonds3

About 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine

2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine (PubChem CID 1312940) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine
PubChem CID1312940
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine
SMILESCS(=O)(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C20H16N2O2S2/c1-26(23,24)20-18(21)17-15(13-8-4-2-5-9-13)12-16(22-19(17)25-20)14-10-6-3-7-11-14/h2-12H,21H2,1H3
InChIKeyPPTOYHNJRVKJGO-UHFFFAOYSA-N
XLogP4.62
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine (CID 1312940) is 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine is CS(=O)(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is PPTOYHNJRVKJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-26(23,24)20-18(21)17-15(13-8-4-2-5-9-13)12-16(22-19(17)25-20)14-10-6-3-7-11-14/h2-12H,21H2,1H3.
What are the key properties of 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine?
2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 380.49 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4,6-diphenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 1312940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).