4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide

C20H20N4O5S2 — CID 23585501

IUPAC4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N)c2cc(-c3ccc(S(=O)(=O)CC(=O)N4CCOCC4)cc3)sc12
InChIInChI=1S/C20H20N4O5S2/c21-19-14-9-16(30-18(14)15(10-23-19)20(22)26)12-1-3-13(4-2-12)31(27,28)11-17(25)24-5-7-29-8-6-24/h1-4,9-10H,5-8,11H2,(H2,21,23)(H2,22,26)
InChIKeyJZPZOHFYRLKASB-UHFFFAOYSA-N
MW460.54 g/mol
LogP1.28
Rot. Bonds5

About 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 23585501) has the molecular formula C20H20N4O5S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID23585501
Molecular FormulaC20H20N4O5S2
Molecular Weight460.54 g/mol
Exact Mass460.09
IUPAC Name4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N)c2cc(-c3ccc(S(=O)(=O)CC(=O)N4CCOCC4)cc3)sc12
InChIInChI=1S/C20H20N4O5S2/c21-19-14-9-16(30-18(14)15(10-23-19)20(22)26)12-1-3-13(4-2-12)31(27,28)11-17(25)24-5-7-29-8-6-24/h1-4,9-10H,5-8,11H2,(H2,21,23)(H2,22,26)
InChIKeyJZPZOHFYRLKASB-UHFFFAOYSA-N
XLogP1.28
TPSA145.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide 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-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 23585501) is 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N)c2cc(-c3ccc(S(=O)(=O)CC(=O)N4CCOCC4)cc3)sc12.
What is the InChIKey of 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is JZPZOHFYRLKASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S2/c21-19-14-9-16(30-18(14)15(10-23-19)20(22)26)12-1-3-13(4-2-12)31(27,28)11-17(25)24-5-7-29-8-6-24/h1-4,9-10H,5-8,11H2,(H2,21,23)(H2,22,26).
What are the key properties of 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 23585501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).