2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide

C20H27NO2S — CID 8512875

IUPAC2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2S/c1-2-23-18-6-4-3-5-17(18)21-19(22)13-24-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,2,7-13H2,1H3,(H,21,22)
InChIKeyZJCWBQFMDXHVRX-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.73
Rot. Bonds6

About 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide

2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 8512875) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide
PubChem CID8512875
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2S/c1-2-23-18-6-4-3-5-17(18)21-19(22)13-24-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,2,7-13H2,1H3,(H,21,22)
InChIKeyZJCWBQFMDXHVRX-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
CID 51185847
2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 17267265
2-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113158429
N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
CID 78457461
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-ethoxyphenyl)acetamide
CID 2962803
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide (CID 8512875) is 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is ZJCWBQFMDXHVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-2-23-18-6-4-3-5-17(18)21-19(22)13-24-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,2,7-13H2,1H3,(H,21,22).
What are the key properties of 2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide?
2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 345.51 g/mol, XLogP of 4.73, 6 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 8512875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).