7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine

C20H16N2O2S2 — CID 141322450

IUPAC7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
SMILESCS(=O)(=O)c1cccc(-c2cnc(N)c3c(-c4ccccc4)csc23)c1
InChIInChI=1S/C20H16N2O2S2/c1-26(23,24)15-9-5-8-14(10-15)16-11-22-20(21)18-17(12-25-19(16)18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,21,22)
InChIKeyPXRRIMLUOJSXFE-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.62
Rot. Bonds3

About 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine

7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine (PubChem CID 141322450) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
PubChem CID141322450
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
SMILESCS(=O)(=O)c1cccc(-c2cnc(N)c3c(-c4ccccc4)csc23)c1
InChIInChI=1S/C20H16N2O2S2/c1-26(23,24)15-9-5-8-14(10-15)16-11-22-20(21)18-17(12-25-19(16)18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,21,22)
InChIKeyPXRRIMLUOJSXFE-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 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine (CID 141322450) is 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine is CS(=O)(=O)c1cccc(-c2cnc(N)c3c(-c4ccccc4)csc23)c1.
What is the InChIKey of 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine?
The InChIKey is PXRRIMLUOJSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-26(23,24)15-9-5-8-14(10-15)16-11-22-20(21)18-17(12-25-19(16)18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,21,22).
What are the key properties of 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine?
7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-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 7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 141322450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).