6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine

C21H18N2O2S2 — CID 1316236

IUPAC6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1
InChIInChI=1S/C21H18N2O2S2/c1-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)18-19(22)21(27(2,24)25)26-20(18)23-17/h3-12H,22H2,1-2H3
InChIKeyAIEWVFVRSMCKDO-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.92
Rot. Bonds3

About 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine

6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine (PubChem CID 1316236) has the molecular formula C21H18N2O2S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine
PubChem CID1316236
Molecular FormulaC21H18N2O2S2
Molecular Weight394.52 g/mol
Exact Mass394.08
IUPAC Name6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1
InChIInChI=1S/C21H18N2O2S2/c1-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)18-19(22)21(27(2,24)25)26-20(18)23-17/h3-12H,22H2,1-2H3
InChIKeyAIEWVFVRSMCKDO-UHFFFAOYSA-N
XLogP4.92
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine (CID 1316236) is 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine is Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is AIEWVFVRSMCKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S2/c1-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)18-19(22)21(27(2,24)25)26-20(18)23-17/h3-12H,22H2,1-2H3.
What are the key properties of 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine?
6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 394.52 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 1316236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).