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

C20H20N2O3S2 — CID 78853474

IUPAC2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccccc1-c1nc(CS(=O)CC(=O)Nc2ccc(C)cc2)cs1
InChIInChI=1S/C20H20N2O3S2/c1-14-7-9-15(10-8-14)21-19(23)13-27(24)12-16-11-26-20(22-16)17-5-3-4-6-18(17)25-2/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyHVSCWYFLSNDJKD-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.01
Rot. Bonds7

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

2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide (PubChem CID 78853474) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide
PubChem CID78853474
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccccc1-c1nc(CS(=O)CC(=O)Nc2ccc(C)cc2)cs1
InChIInChI=1S/C20H20N2O3S2/c1-14-7-9-15(10-8-14)21-19(23)13-27(24)12-16-11-26-20(22-16)17-5-3-4-6-18(17)25-2/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyHVSCWYFLSNDJKD-UHFFFAOYSA-N
XLogP4.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9027489
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide
CID 42892126
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110317395
N-cyclopropyl-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333079
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168636
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide
CID 95571824
methyl 2-[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333154
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide (CID 78853474) is 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide is COc1ccccc1-c1nc(CS(=O)CC(=O)Nc2ccc(C)cc2)cs1.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide?
The InChIKey is HVSCWYFLSNDJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-14-7-9-15(10-8-14)21-19(23)13-27(24)12-16-11-26-20(22-16)17-5-3-4-6-18(17)25-2/h3-11H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide?
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 78853474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).