N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

C18H21NOS — CID 8839292

IUPACN-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSCc1cccc(C)c1
InChIInChI=1S/C18H21NOS/c1-3-16-9-4-5-10-17(16)19-18(20)13-21-12-15-8-6-7-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyPYINTVWVIKLYLI-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.43
Rot. Bonds6

About N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 8839292) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID8839292
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSCc1cccc(C)c1
InChIInChI=1S/C18H21NOS/c1-3-16-9-4-5-10-17(16)19-18(20)13-21-12-15-8-6-7-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyPYINTVWVIKLYLI-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
2-methyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 9326313
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide
CID 1249199
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289669
N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide
CID 62771444
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18081156
N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 26371180
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 55661370
N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 78786783

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 8839292) is N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is CCc1ccccc1NC(=O)CSCc1cccc(C)c1.
What is the InChIKey of N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is PYINTVWVIKLYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-16-9-4-5-10-17(16)19-18(20)13-21-12-15-8-6-7-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 299.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8839292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).