4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide

C25H23N3O6S — CID 90062226

IUPAC4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4ccncc34)n2)ccc1OCCO
InChIInChI=1S/C25H23N3O6S/c1-32-21-6-4-18(28-24(21)17-14-35-23-7-8-26-12-16(17)23)19(30)13-27-25(31)15-3-5-20(34-10-9-29)22(11-15)33-2/h3-8,11-12,14,29H,9-10,13H2,1-2H3,(H,27,31)
InChIKeyNSNJJTDBJDJAKM-UHFFFAOYSA-N
MW493.54 g/mol
LogP3.36
Rot. Bonds10

About 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide

4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide (PubChem CID 90062226) has the molecular formula C25H23N3O6S and a molecular weight of 493.54 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide
PubChem CID90062226
Molecular FormulaC25H23N3O6S
Molecular Weight493.54 g/mol
Exact Mass493.13
IUPAC Name4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4ccncc34)n2)ccc1OCCO
InChIInChI=1S/C25H23N3O6S/c1-32-21-6-4-18(28-24(21)17-14-35-23-7-8-26-12-16(17)23)19(30)13-27-25(31)15-3-5-20(34-10-9-29)22(11-15)33-2/h3-8,11-12,14,29H,9-10,13H2,1-2H3,(H,27,31)
InChIKeyNSNJJTDBJDJAKM-UHFFFAOYSA-N
XLogP3.36
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide 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 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide?
The IUPAC name of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide (CID 90062226) is 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4ccncc34)n2)ccc1OCCO.
What is the InChIKey of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide?
The InChIKey is NSNJJTDBJDJAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6S/c1-32-21-6-4-18(28-24(21)17-14-35-23-7-8-26-12-16(17)23)19(30)13-27-25(31)15-3-5-20(34-10-9-29)22(11-15)33-2/h3-8,11-12,14,29H,9-10,13H2,1-2H3,(H,27,31).
What are the key properties of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide?
4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide has a molecular weight of 493.54 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-3-methoxy-N-[2-(5-methoxy-6-thieno[3,2-c]pyridin-3-yl-2-pyridinyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 90062226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).