2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide

C21H22N2O3S2 — CID 18275779

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)CC)cc3)cs2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-3-15-5-7-16(8-6-15)21-23-18(14-27-21)13-20(24)22-17-9-11-19(12-10-17)28(25,26)4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyJCGVBNKOFKQPHG-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.35
Rot. Bonds7

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide (PubChem CID 18275779) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide
PubChem CID18275779
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)CC)cc3)cs2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-3-15-5-7-16(8-6-15)21-23-18(14-27-21)13-20(24)22-17-9-11-19(12-10-17)28(25,26)4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyJCGVBNKOFKQPHG-UHFFFAOYSA-N
XLogP4.35
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 9455853
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
N-[3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537701
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-(4-ethylsulfonylphenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55775962
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55960719
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 24855468
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 55968842

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide (CID 18275779) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide is CCc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)CC)cc3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is JCGVBNKOFKQPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-3-15-5-7-16(8-6-15)21-23-18(14-27-21)13-20(24)22-17-9-11-19(12-10-17)28(25,26)4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 414.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 18275779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).