2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide

C14H19NO3S — CID 113218284

IUPAC2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSCc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C14H19NO3S/c1-4-15-14(17)9-19-8-12-7-11(10(2)16)5-6-13(12)18-3/h5-7H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyPMOYVQVQMSEWBX-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.27
Rot. Bonds7

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

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide (PubChem CID 113218284) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide
PubChem CID113218284
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSCc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C14H19NO3S/c1-4-15-14(17)9-19-8-12-7-11(10(2)16)5-6-13(12)18-3/h5-7H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyPMOYVQVQMSEWBX-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 8637344
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 24547309
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 8574543
2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 31545573
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 24544679
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
CID 9276455
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide
CID 8637210
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 24554303
1-[3-(3-hydroxypropylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 66114297
1-[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-cyclopentylthiourea
CID 8622261

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide (CID 113218284) is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide is CCNC(=O)CSCc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide?
The InChIKey is PMOYVQVQMSEWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-4-15-14(17)9-19-8-12-7-11(10(2)16)5-6-13(12)18-3/h5-7H,4,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide?
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide has a molecular weight of 281.38 g/mol, XLogP of 2.27, 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-ethylacetamide is sourced from PubChem (CID 113218284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).