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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Related Compounds

3-((2,2-Dimethylpropanoyl)amino)-N-1,3-thiazol-2-ylpyridine-2-carboxamide
CID 11120251
N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 121445752
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxopyrido[3,2-d]pyrimidin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829060
2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
CID 162369728
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 58548384
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,2,4-thiadiazol-5-yl)pyrazine-2-carboxamide
CID 71453604
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 2660503
4-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158223
4-(indolin-1-ylsulfonyl)-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 4159447
3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4853713
N-[4-[4-(3-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]benzamide
CID 10301843

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).