N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C20H18F2N2O2S2 — CID 46586964

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3ccccc3SC(F)F)cs2)cc1
InChIInChI=1S/C20H18F2N2O2S2/c1-2-26-15-9-7-13(8-10-15)19-23-14(12-27-19)11-18(25)24-16-5-3-4-6-17(16)28-20(21)22/h3-10,12,20H,2,11H2,1H3,(H,24,25)
InChIKeyOGCAUCUZQIICKC-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.70
Rot. Bonds8

About N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46586964) has the molecular formula C20H18F2N2O2S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID46586964
Molecular FormulaC20H18F2N2O2S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3ccccc3SC(F)F)cs2)cc1
InChIInChI=1S/C20H18F2N2O2S2/c1-2-26-15-9-7-13(8-10-15)19-23-14(12-27-19)11-18(25)24-16-5-3-4-6-17(16)28-20(21)22/h3-10,12,20H,2,11H2,1H3,(H,24,25)
InChIKeyOGCAUCUZQIICKC-UHFFFAOYSA-N
XLogP5.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16599535
2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
CID 35361449
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51206176
N-(3-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585675
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 39166248
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 46586199
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 46586964) is N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3SC(F)F)cs2)cc1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is OGCAUCUZQIICKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S2/c1-2-26-15-9-7-13(8-10-15)19-23-14(12-27-19)11-18(25)24-16-5-3-4-6-17(16)28-20(21)22/h3-10,12,20H,2,11H2,1H3,(H,24,25).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46586964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).