4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C26H21N5O4S2 — CID 25048869

IUPAC4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(S(=O)(=O)Nc5nccc(C)n5)cc4)sc3n2)cc1
InChIInChI=1S/C26H21N5O4S2/c1-15-13-14-28-26(29-15)31-37(33,34)19-9-5-17(6-10-19)23(32)24-22(27)20-11-12-21(30-25(20)36-24)16-3-7-18(35-2)8-4-16/h3-14H,27H2,1-2H3,(H,28,29,31)
InChIKeyCQQXCPQYEQWILF-UHFFFAOYSA-N
MW531.62 g/mol
LogP4.68
Rot. Bonds7

About 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 25048869) has the molecular formula C26H21N5O4S2 and a molecular weight of 531.62 g/mol. Its IUPAC name is 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID25048869
Molecular FormulaC26H21N5O4S2
Molecular Weight531.62 g/mol
Exact Mass531.10
IUPAC Name4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(S(=O)(=O)Nc5nccc(C)n5)cc4)sc3n2)cc1
InChIInChI=1S/C26H21N5O4S2/c1-15-13-14-28-26(29-15)31-37(33,34)19-9-5-17(6-10-19)23(32)24-22(27)20-11-12-21(30-25(20)36-24)16-3-7-18(35-2)8-4-16/h3-14H,27H2,1-2H3,(H,28,29,31)
InChIKeyCQQXCPQYEQWILF-UHFFFAOYSA-N
XLogP4.68
TPSA137.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
CID 1004090
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
CID 765624
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1005120
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
CID 23773346
2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1312196
3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 53270913
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 90518474
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 25048869) is 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(S(=O)(=O)Nc5nccc(C)n5)cc4)sc3n2)cc1.
What is the InChIKey of 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is CQQXCPQYEQWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4S2/c1-15-13-14-28-26(29-15)31-37(33,34)19-9-5-17(6-10-19)23(32)24-22(27)20-11-12-21(30-25(20)36-24)16-3-7-18(35-2)8-4-16/h3-14H,27H2,1-2H3,(H,28,29,31).
What are the key properties of 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 531.62 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 25048869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).