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

C21H18N2O3S2 — CID 1160048

IUPAC6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1
InChIInChI=1S/C21H18N2O3S2/c1-26-15-10-8-14(9-11-15)17-12-16(13-6-4-3-5-7-13)18-19(22)21(28(2,24)25)27-20(18)23-17/h3-12H,22H2,1-2H3
InChIKeyLZEUNBDVOASZPO-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.62
Rot. Bonds4

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

6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine (PubChem CID 1160048) has the molecular formula C21H18N2O3S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine
PubChem CID1160048
Molecular FormulaC21H18N2O3S2
Molecular Weight410.52 g/mol
Exact Mass410.08
IUPAC Name6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1
InChIInChI=1S/C21H18N2O3S2/c1-26-15-10-8-14(9-11-15)17-12-16(13-6-4-3-5-7-13)18-19(22)21(28(2,24)25)27-20(18)23-17/h3-12H,22H2,1-2H3
InChIKeyLZEUNBDVOASZPO-UHFFFAOYSA-N
XLogP4.62
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine (CID 1160048) is 6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine is COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is LZEUNBDVOASZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S2/c1-26-15-10-8-14(9-11-15)17-12-16(13-6-4-3-5-7-13)18-19(22)21(28(2,24)25)27-20(18)23-17/h3-12H,22H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine?
6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 410.52 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 1160048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).