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

C18H18ClNO3S — CID 8574543

IUPAC2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClNO3S/c1-12(21)13-7-8-17(23-2)14(9-13)10-24-11-18(22)20-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyFBGCXPAPBNEKOT-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.42
Rot. Bonds7

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

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide (PubChem CID 8574543) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
PubChem CID8574543
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClNO3S/c1-12(21)13-7-8-17(23-2)14(9-13)10-24-11-18(22)20-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyFBGCXPAPBNEKOT-UHFFFAOYSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-chlorophenyl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone
CID 103600943
2-[4-[(5-acetyl-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434319
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide
CID 113218284
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide
CID 17447987
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide
CID 8637210
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 24547309
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dichlorophenyl)acetamide
CID 30845420
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 8637344
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966479

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide (CID 8574543) is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide is COc1ccc(C(C)=O)cc1CSCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is FBGCXPAPBNEKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-12(21)13-7-8-17(23-2)14(9-13)10-24-11-18(22)20-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 363.87 g/mol, XLogP of 4.42, 7 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-chlorophenyl)acetamide is sourced from PubChem (CID 8574543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).