N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide

C19H25NO2S — CID 29318028

IUPACN-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2S/c1-22-16-2-4-17(5-3-16)23-12-18(21)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)
InChIKeyFEOTYLXPNIXTBR-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.87
Rot. Bonds5

About N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 29318028) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID29318028
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2S/c1-22-16-2-4-17(5-3-16)23-12-18(21)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)
InChIKeyFEOTYLXPNIXTBR-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate
CID 16577369
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365297
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 113344707
1-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]cyclobutane-1-carboxylic acid
CID 81157954
N'-(1-adamantyl)-N-[(4-methoxyphenyl)methyl]butanediamide
CID 4028517
N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide
CID 75136185
N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7707186
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide
CID 90671167
N-(1-adamantyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5219561
N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 17472289

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 29318028) is N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is FEOTYLXPNIXTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-22-16-2-4-17(5-3-16)23-12-18(21)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21).
What are the key properties of N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 331.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 29318028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).