5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C22H18N4O3S2 — CID 70789482

IUPAC5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)cc1
InChIInChI=1S/C22H18N4O3S2/c1-15-7-9-19(10-8-15)31(28,29)26-18-11-17(12-23-13-18)21(27)25-22-24-20(14-30-22)16-5-3-2-4-6-16/h2-14,26H,1H3,(H,24,25,27)
InChIKeyAEHDIMLIQQIVEX-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.57
Rot. Bonds6

About 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 70789482) has the molecular formula C22H18N4O3S2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID70789482
Molecular FormulaC22H18N4O3S2
Molecular Weight450.55 g/mol
Exact Mass450.08
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)cc1
InChIInChI=1S/C22H18N4O3S2/c1-15-7-9-19(10-8-15)31(28,29)26-18-11-17(12-23-13-18)21(27)25-22-24-20(14-30-22)16-5-3-2-4-6-16/h2-14,26H,1H3,(H,24,25,27)
InChIKeyAEHDIMLIQQIVEX-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

4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789534
5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789526
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 7161193
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041538
3-[(4-methylphenyl)sulfonylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 70789554
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043159
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16803056
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042373
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 71768251

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 70789482) is 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is AEHDIMLIQQIVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S2/c1-15-7-9-19(10-8-15)31(28,29)26-18-11-17(12-23-13-18)21(27)25-22-24-20(14-30-22)16-5-3-2-4-6-16/h2-14,26H,1H3,(H,24,25,27).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-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 5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 70789482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).