2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide

C20H22ClNO3S — CID 24547309

IUPAC2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H22ClNO3S/c1-14(23)16-6-7-19(25-2)17(11-16)12-26-13-20(24)22-9-8-15-4-3-5-18(21)10-15/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,24)
InChIKeyIFHFUMRJSLQVDW-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.14
Rot. Bonds9

About 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide (PubChem CID 24547309) has the molecular formula C20H22ClNO3S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
PubChem CID24547309
Molecular FormulaC20H22ClNO3S
Molecular Weight391.92 g/mol
Exact Mass391.10
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H22ClNO3S/c1-14(23)16-6-7-19(25-2)17(11-16)12-26-13-20(24)22-9-8-15-4-3-5-18(21)10-15/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,24)
InChIKeyIFHFUMRJSLQVDW-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide
CID 8637210
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide
CID 113218284
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]acetamide
CID 8928835
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 8574543
1-[3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 9258775
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 24554303
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2097238
3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 27838766
1-[3-[(2-chlorophenyl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone
CID 103600943
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806352
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide (CID 24547309) is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide is COc1ccc(C(C)=O)cc1CSCC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is IFHFUMRJSLQVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3S/c1-14(23)16-6-7-19(25-2)17(11-16)12-26-13-20(24)22-9-8-15-4-3-5-18(21)10-15/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide?
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 391.92 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 24547309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).