3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C24H23NO6S2 — CID 53047463

IUPAC3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESC=CCOc1ccc(C2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)cc1OC
InChIInChI=1S/C24H23NO6S2/c1-4-11-31-19-10-5-15(12-20(19)30-3)18-13-22(26)25-23-21(14-32-24(18)23)33(27,28)17-8-6-16(29-2)7-9-17/h4-10,12,14,18H,1,11,13H2,2-3H3,(H,25,26)
InChIKeyRHYAEKUVMNJRIE-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.64
Rot. Bonds8

About 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 53047463) has the molecular formula C24H23NO6S2 and a molecular weight of 485.58 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID53047463
Molecular FormulaC24H23NO6S2
Molecular Weight485.58 g/mol
Exact Mass485.10
IUPAC Name3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESC=CCOc1ccc(C2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)cc1OC
InChIInChI=1S/C24H23NO6S2/c1-4-11-31-19-10-5-15(12-20(19)30-3)18-13-22(26)25-23-21(14-32-24(18)23)33(27,28)17-8-6-16(29-2)7-9-17/h4-10,12,14,18H,1,11,13H2,2-3H3,(H,25,26)
InChIKeyRHYAEKUVMNJRIE-UHFFFAOYSA-N
XLogP4.64
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 53047463) is 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is C=CCOc1ccc(C2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)cc1OC.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is RHYAEKUVMNJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6S2/c1-4-11-31-19-10-5-15(12-20(19)30-3)18-13-22(26)25-23-21(14-32-24(18)23)33(27,28)17-8-6-16(29-2)7-9-17/h4-10,12,14,18H,1,11,13H2,2-3H3,(H,25,26).
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 485.58 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 53047463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).