2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide

C19H25NO2S — CID 8512864

IUPAC2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2S/c1-22-17-4-2-16(3-5-17)20-18(21)12-23-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)
InChIKeyQXOXWBNIIAXJDR-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.34
Rot. Bonds5

About 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide

2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide (PubChem CID 8512864) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide
PubChem CID8512864
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2S/c1-22-17-4-2-16(3-5-17)20-18(21)12-23-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)
InChIKeyQXOXWBNIIAXJDR-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 51570177
N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide
CID 8512794
2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 8512834
2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8513757
2-(1-adamantylsulfanyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 8513275
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
N-[4-(1-adamantyl)phenyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2978611
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318028
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46560966
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide (CID 8512864) is 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is QXOXWBNIIAXJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-22-17-4-2-16(3-5-17)20-18(21)12-23-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21).
What are the key properties of 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide?
2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 331.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 8512864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).