N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide

C20H25NO2S — CID 8512794

IUPACN-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CSC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H25NO2S/c1-13(22)17-3-2-4-18(8-17)21-19(23)12-24-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16H,5-7,9-12H2,1H3,(H,21,23)
InChIKeyRZQTWLAMMDJWTN-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.53
Rot. Bonds5

About N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide

N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide (PubChem CID 8512794) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide
PubChem CID8512794
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CSC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H25NO2S/c1-13(22)17-3-2-4-18(8-17)21-19(23)12-24-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16H,5-7,9-12H2,1H3,(H,21,23)
InChIKeyRZQTWLAMMDJWTN-UHFFFAOYSA-N
XLogP4.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)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-(3-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17269066
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
N-(3-acetylphenyl)propanamide
CID 903063
2-[[2-(1-adamantylsulfanyl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8513401
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
2-(1-adamantylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 8512875
N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide
CID 98775402
N-(3-acetylphenyl)-2-[methyl-(2-methylsulfanylcyclopentyl)amino]acetamide
CID 71868839
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide
CID 108550975
N-(3-acetylphenyl)-2-(1-aminocyclopentyl)acetamide
CID 64679643

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide (CID 8512794) is N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide is CC(=O)c1cccc(NC(=O)CSC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide?
The InChIKey is RZQTWLAMMDJWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-13(22)17-3-2-4-18(8-17)21-19(23)12-24-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16H,5-7,9-12H2,1H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide?
N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide has a molecular weight of 343.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide is sourced from PubChem (CID 8512794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).