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

C25H23N3O3S2 — CID 25436690

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cs2)c1
InChIInChI=1S/C25H23N3O3S2/c1-18-8-6-9-19(14-18)25-27-21(17-32-25)16-24(29)26-20-10-7-13-23(15-20)33(30,31)28(2)22-11-4-3-5-12-22/h3-15,17H,16H2,1-2H3,(H,26,29)
InChIKeyGOMVOXHZTCAISQ-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.12
Rot. Bonds7

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

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 25436690) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID25436690
Molecular FormulaC25H23N3O3S2
Molecular Weight477.61 g/mol
Exact Mass477.12
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cs2)c1
InChIInChI=1S/C25H23N3O3S2/c1-18-8-6-9-19(14-18)25-27-21(17-32-25)16-24(29)26-20-10-7-13-23(15-20)33(30,31)28(2)22-11-4-3-5-12-22/h3-15,17H,16H2,1-2H3,(H,26,29)
InChIKeyGOMVOXHZTCAISQ-UHFFFAOYSA-N
XLogP5.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16562803
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9255503
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 25335625
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 16560776
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 29282406
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55664739

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 25436690) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1cccc(-c2nc(CC(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cs2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is GOMVOXHZTCAISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c1-18-8-6-9-19(14-18)25-27-21(17-32-25)16-24(29)26-20-10-7-13-23(15-20)33(30,31)28(2)22-11-4-3-5-12-22/h3-15,17H,16H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 477.61 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 25436690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).