2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide

C19H18N2O3S2 — CID 9455853

IUPAC2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-13-3-5-14(6-4-13)19-21-16(12-25-19)11-18(22)20-15-7-9-17(10-8-15)26(2,23)24/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNAOQDILOSVHKPL-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.70
Rot. Bonds5

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

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 9455853) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID9455853
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-13-3-5-14(6-4-13)19-21-16(12-25-19)11-18(22)20-15-7-9-17(10-8-15)26(2,23)24/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNAOQDILOSVHKPL-UHFFFAOYSA-N
XLogP3.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide
CID 18275779
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 17498942
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 55968842
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8776935
2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 26213278
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 39170378
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 18586875
N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 78823652
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 43320120

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide (CID 9455853) is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide is Cc1ccc(-c2nc(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)cs2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is NAOQDILOSVHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-13-3-5-14(6-4-13)19-21-16(12-25-19)11-18(22)20-15-7-9-17(10-8-15)26(2,23)24/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide?
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9455853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).