2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine

C25H18N2O2S2 — CID 2870750

IUPAC2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C25H18N2O2S2/c26-23-22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)27-24(22)30-25(23)31(28,29)19-14-8-3-9-15-19/h1-16H,26H2
InChIKeyPHEPNHJLUOMPKC-UHFFFAOYSA-N
MW442.57 g/mol
LogP6.05
Rot. Bonds4

About 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine

2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine (PubChem CID 2870750) has the molecular formula C25H18N2O2S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine
PubChem CID2870750
Molecular FormulaC25H18N2O2S2
Molecular Weight442.57 g/mol
Exact Mass442.08
IUPAC Name2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C25H18N2O2S2/c26-23-22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)27-24(22)30-25(23)31(28,29)19-14-8-3-9-15-19/h1-16H,26H2
InChIKeyPHEPNHJLUOMPKC-UHFFFAOYSA-N
XLogP6.05
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine (CID 2870750) is 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine is Nc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is PHEPNHJLUOMPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2S2/c26-23-22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)27-24(22)30-25(23)31(28,29)19-14-8-3-9-15-19/h1-16H,26H2.
What are the key properties of 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine?
2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 442.57 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 2870750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).