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

C17H19NOS — CID 18081104

IUPACN-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H19NOS/c1-13-6-5-8-15(10-13)11-20-12-17(19)18-16-9-4-3-7-14(16)2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyCHBAJJUEQSWRCK-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.18
Rot. Bonds5

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

N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 18081104) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID18081104
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H19NOS/c1-13-6-5-8-15(10-13)11-20-12-17(19)18-16-9-4-3-7-14(16)2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyCHBAJJUEQSWRCK-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
2-methyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 9326313
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62766577
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289669
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
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-[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-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 18081104) is N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)Nc2ccccc2C)c1.
What is the InChIKey of N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is CHBAJJUEQSWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-6-5-8-15(10-13)11-20-12-17(19)18-16-9-4-3-7-14(16)2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 285.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 18081104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).