N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C19H20N4O4S2 — CID 25477825

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H20N4O4S2/c1-23(2)29(25,26)17-10-13(7-8-16(17)27-3)21-18(24)11-14-12-28-19(22-14)15-6-4-5-9-20-15/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyQLARAIHUFULEHN-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.65
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 25477825) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID25477825
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H20N4O4S2/c1-23(2)29(25,26)17-10-13(7-8-16(17)27-3)21-18(24)11-14-12-28-19(22-14)15-6-4-5-9-20-15/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyQLARAIHUFULEHN-UHFFFAOYSA-N
XLogP2.65
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17438834
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329818
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16562803
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
N-[3-(methoxymethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32638534
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide
CID 55984591
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16579285
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55919837
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 25477825) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is COc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QLARAIHUFULEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-23(2)29(25,26)17-10-13(7-8-16(17)27-3)21-18(24)11-14-12-28-19(22-14)15-6-4-5-9-20-15/h4-10,12H,11H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 432.53 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 25477825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).