N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

C25H23N3O4S2 — CID 25335625

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C25H23N3O4S2/c1-17-7-5-8-18(13-17)25-27-20(16-33-25)15-24(29)26-19-9-6-10-21(14-19)34(30,31)28-22-11-3-4-12-23(22)32-2/h3-14,16,28H,15H2,1-2H3,(H,26,29)
InChIKeyWQXSSRDMOIPGDN-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.11
Rot. Bonds8

About N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 25335625) has the molecular formula C25H23N3O4S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID25335625
Molecular FormulaC25H23N3O4S2
Molecular Weight493.61 g/mol
Exact Mass493.11
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C25H23N3O4S2/c1-17-7-5-8-18(13-17)25-27-20(16-33-25)15-24(29)26-19-9-6-10-21(14-19)34(30,31)28-22-11-3-4-12-23(22)32-2/h3-14,16,28H,15H2,1-2H3,(H,26,29)
InChIKeyWQXSSRDMOIPGDN-UHFFFAOYSA-N
XLogP5.11
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 29282406
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 25436690
N-(4,5-dimethoxy-2-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26771723
N-(6-methoxy-3-pyridinyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809068
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 36678786
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24513677
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
methyl 3-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 18089786
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 31473967
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 25335625) is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is WQXSSRDMOIPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S2/c1-17-7-5-8-18(13-17)25-27-20(16-33-25)15-24(29)26-19-9-6-10-21(14-19)34(30,31)28-22-11-3-4-12-23(22)32-2/h3-14,16,28H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 493.61 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 25335625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).