2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide

C19H25NOS — CID 7734007

IUPAC2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NOS/c1-22-17-4-2-3-16(8-17)20-18(21)12-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,20,21)
InChIKeyZWZZDVGGNPUVHG-UHFFFAOYSA-N
MW315.48 g/mol
LogP4.95
Rot. Bonds4

About 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide

2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 7734007) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID7734007
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NOS/c1-22-17-4-2-3-16(8-17)20-18(21)12-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,20,21)
InChIKeyZWZZDVGGNPUVHG-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methylsulfanylanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 5056388
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 11918482
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4810691
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate
CID 16502255
N-[[3-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923902

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide (CID 7734007) is 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is ZWZZDVGGNPUVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c1-22-17-4-2-3-16(8-17)20-18(21)12-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,20,21).
What are the key properties of 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide?
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 315.48 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 7734007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).