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

C22H18N4O3S2 — CID 70789473

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccnc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H18N4O3S2/c1-15-9-11-17(12-10-15)31(28,29)26-18-8-5-13-23-20(18)21(27)25-22-24-19(14-30-22)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,24,25,27)
InChIKeyYZAMLKAIZCMMDO-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.57
Rot. Bonds6

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

3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 70789473) has the molecular formula C22H18N4O3S2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID70789473
Molecular FormulaC22H18N4O3S2
Molecular Weight450.55 g/mol
Exact Mass450.08
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccnc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H18N4O3S2/c1-15-9-11-17(12-10-15)31(28,29)26-18-8-5-13-23-20(18)21(27)25-22-24-19(14-30-22)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,24,25,27)
InChIKeyYZAMLKAIZCMMDO-UHFFFAOYSA-N
XLogP4.57
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 70789473) is 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2cccnc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is YZAMLKAIZCMMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S2/c1-15-9-11-17(12-10-15)31(28,29)26-18-8-5-13-23-20(18)21(27)25-22-24-19(14-30-22)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,24,25,27).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 450.55 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 70789473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).