2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C18H14N2O2S3 — CID 654955

IUPAC2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESCS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C18H14N2O2S3/c1-25(21,22)18-16(19)15-12(11-6-3-2-4-7-11)10-13(20-17(15)24-18)14-8-5-9-23-14/h2-10H,19H2,1H3
InChIKeyVJLXCXYDRATFPQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.68
Rot. Bonds3

About 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 654955) has the molecular formula C18H14N2O2S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
PubChem CID654955
Molecular FormulaC18H14N2O2S3
Molecular Weight386.52 g/mol
Exact Mass386.02
IUPAC Name2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESCS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C18H14N2O2S3/c1-25(21,22)18-16(19)15-12(11-6-3-2-4-7-11)10-13(20-17(15)24-18)14-8-5-9-23-14/h2-10H,19H2,1H3
InChIKeyVJLXCXYDRATFPQ-UHFFFAOYSA-N
XLogP4.68
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 654955) is 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is CS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is VJLXCXYDRATFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S3/c1-25(21,22)18-16(19)15-12(11-6-3-2-4-7-11)10-13(20-17(15)24-18)14-8-5-9-23-14/h2-10H,19H2,1H3.
What are the key properties of 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 386.52 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 654955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).