N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide

C18H20N2O4S — CID 46769269

IUPACN-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C18H20N2O4S/c1-12(21)19-13-5-4-6-14(9-13)20-18(22)11-25-15-7-8-16(23-2)17(10-15)24-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyDFTVIOMLXSBXBP-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.39
Rot. Bonds7

About N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide

N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide (PubChem CID 46769269) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
PubChem CID46769269
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C18H20N2O4S/c1-12(21)19-13-5-4-6-14(9-13)20-18(22)11-25-15-7-8-16(23-2)17(10-15)24-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyDFTVIOMLXSBXBP-UHFFFAOYSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 28635923
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 38016758
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902730
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 28580453
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902751
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 30390096
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide
CID 7652551
ethyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoate
CID 38012801
N-(3-acetamidophenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7869690

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide (CID 46769269) is N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC.
What is the InChIKey of N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide?
The InChIKey is DFTVIOMLXSBXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12(21)19-13-5-4-6-14(9-13)20-18(22)11-25-15-7-8-16(23-2)17(10-15)24-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide has a molecular weight of 360.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 46769269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).