2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine

C24H24N2O3S2 — CID 3334238

IUPAC2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)(=O)c1sc2nc(-c3ccc(OC)cc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C24H24N2O3S2/c1-3-4-14-31(27,28)24-22(25)21-19(16-8-6-5-7-9-16)15-20(26-23(21)30-24)17-10-12-18(29-2)13-11-17/h5-13,15H,3-4,14,25H2,1-2H3
InChIKeyGWRACOFLQSDOCE-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.79
Rot. Bonds7

About 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine

2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine (PubChem CID 3334238) has the molecular formula C24H24N2O3S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine
PubChem CID3334238
Molecular FormulaC24H24N2O3S2
Molecular Weight452.60 g/mol
Exact Mass452.12
IUPAC Name2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)(=O)c1sc2nc(-c3ccc(OC)cc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C24H24N2O3S2/c1-3-4-14-31(27,28)24-22(25)21-19(16-8-6-5-7-9-16)15-20(26-23(21)30-24)17-10-12-18(29-2)13-11-17/h5-13,15H,3-4,14,25H2,1-2H3
InChIKeyGWRACOFLQSDOCE-UHFFFAOYSA-N
XLogP5.79
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine (CID 3334238) is 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine is CCCCS(=O)(=O)c1sc2nc(-c3ccc(OC)cc3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is GWRACOFLQSDOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S2/c1-3-4-14-31(27,28)24-22(25)21-19(16-8-6-5-7-9-16)15-20(26-23(21)30-24)17-10-12-18(29-2)13-11-17/h5-13,15H,3-4,14,25H2,1-2H3.
What are the key properties of 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine?
2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 452.60 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 3334238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).