3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C22H18N4O4S2 — CID 70789408

IUPAC3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cnccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H18N4O4S2/c1-30-19-9-5-6-10-20(19)32(28,29)26-17-13-23-12-11-16(17)21(27)25-22-24-18(14-31-22)15-7-3-2-4-8-15/h2-14,26H,1H3,(H,24,25,27)
InChIKeySKOJYBFIOFXLAN-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.27
Rot. Bonds7

About 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 70789408) has the molecular formula C22H18N4O4S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID70789408
Molecular FormulaC22H18N4O4S2
Molecular Weight466.54 g/mol
Exact Mass466.08
IUPAC Name3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cnccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H18N4O4S2/c1-30-19-9-5-6-10-20(19)32(28,29)26-17-13-23-12-11-16(17)21(27)25-22-24-18(14-31-22)15-7-3-2-4-8-15/h2-14,26H,1H3,(H,24,25,27)
InChIKeySKOJYBFIOFXLAN-UHFFFAOYSA-N
XLogP4.27
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-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 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 70789408) is 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is COc1ccccc1S(=O)(=O)Nc1cnccc1C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is SKOJYBFIOFXLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S2/c1-30-19-9-5-6-10-20(19)32(28,29)26-17-13-23-12-11-16(17)21(27)25-22-24-18(14-31-22)15-7-3-2-4-8-15/h2-14,26H,1H3,(H,24,25,27).
What are the key properties of 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 70789408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).