[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate

C19H18ClNO4S — CID 27348164

IUPAC[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESCSc1ccc(C(=O)COC(=O)Cc2ccccc2Cl)cc1NC(C)=O
InChIInChI=1S/C19H18ClNO4S/c1-12(22)21-16-9-14(7-8-18(16)26-2)17(23)11-25-19(24)10-13-5-3-4-6-15(13)20/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyQZFBYAALJNFAHE-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.99
Rot. Bonds7

About [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate

[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate (PubChem CID 27348164) has the molecular formula C19H18ClNO4S and a molecular weight of 391.88 g/mol. Its IUPAC name is [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate
PubChem CID27348164
Molecular FormulaC19H18ClNO4S
Molecular Weight391.88 g/mol
Exact Mass391.06
IUPAC Name[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESCSc1ccc(C(=O)COC(=O)Cc2ccccc2Cl)cc1NC(C)=O
InChIInChI=1S/C19H18ClNO4S/c1-12(22)21-16-9-14(7-8-18(16)26-2)17(23)11-25-19(24)10-13-5-3-4-6-15(13)20/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyQZFBYAALJNFAHE-UHFFFAOYSA-N
XLogP3.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 24526996
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 26968947
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24526075
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8632154
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate
CID 26967839
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 27354846
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 55449479
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 27207455
N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100565594
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 24526063
N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
CID 60513452

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The IUPAC name of [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate (CID 27348164) is [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The canonical SMILES for [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate is CSc1ccc(C(=O)COC(=O)Cc2ccccc2Cl)cc1NC(C)=O.
What is the InChIKey of [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The InChIKey is QZFBYAALJNFAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4S/c1-12(22)21-16-9-14(7-8-18(16)26-2)17(23)11-25-19(24)10-13-5-3-4-6-15(13)20/h3-9H,10-11H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate has a molecular weight of 391.88 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 27348164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).