2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide

C20H27NO2S — CID 8512834

IUPAC2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2S/c1-13-3-4-18(23-2)17(5-13)21-19(22)12-24-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16H,6-12H2,1-2H3,(H,21,22)
InChIKeyZZCSOEOJJLOXKD-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.64
Rot. Bonds5

About 2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide

2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 8512834) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID8512834
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2S/c1-13-3-4-18(23-2)17(5-13)21-19(22)12-24-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16H,6-12H2,1-2H3,(H,21,22)
InChIKeyZZCSOEOJJLOXKD-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 8512875
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528675
2-[2-(1-adamantyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 3213105
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (5R,7R)-3-bromoadamantane-1-carboxylate
CID 98401636
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2959876
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105354217

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide (CID 8512834) is 2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is ZZCSOEOJJLOXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-13-3-4-18(23-2)17(5-13)21-19(22)12-24-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16H,6-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 345.51 g/mol, XLogP of 4.64, 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-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 8512834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).