2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

C20H24N2O5S2 — CID 24646869

IUPAC2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CSCc2cc(C(C)=O)ccc2OC)ccc1C
InChIInChI=1S/C20H24N2O5S2/c1-13-5-7-17(10-19(13)29(25,26)21-3)22-20(24)12-28-11-16-9-15(14(2)23)6-8-18(16)27-4/h5-10,21H,11-12H2,1-4H3,(H,22,24)
InChIKeyOYQFSTOBXXJHGP-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.99
Rot. Bonds9

About 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (PubChem CID 24646869) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
PubChem CID24646869
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CSCc2cc(C(C)=O)ccc2OC)ccc1C
InChIInChI=1S/C20H24N2O5S2/c1-13-5-7-17(10-19(13)29(25,26)21-3)22-20(24)12-28-11-16-9-15(14(2)23)6-8-18(16)27-4/h5-10,21H,11-12H2,1-4H3,(H,22,24)
InChIKeyOYQFSTOBXXJHGP-UHFFFAOYSA-N
XLogP2.99
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide
CID 113218284
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 8574543
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 8637344
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
CID 9276455
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
1-[3-(2,3-dihydroxypropylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 79682975
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 24547309
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199194

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (CID 24646869) is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1cc(NC(=O)CSCc2cc(C(C)=O)ccc2OC)ccc1C.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is OYQFSTOBXXJHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-13-5-7-17(10-19(13)29(25,26)21-3)22-20(24)12-28-11-16-9-15(14(2)23)6-8-18(16)27-4/h5-10,21H,11-12H2,1-4H3,(H,22,24).
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 24646869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).