2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

C18H21NOS — CID 5152285

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CSCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H21NOS/c1-15-7-9-17(10-8-15)13-21-14-18(20)19-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,20)
InChIKeyUULQZELYPOFXBS-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.59
Rot. Bonds7

About 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 5152285) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID5152285
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CSCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H21NOS/c1-15-7-9-17(10-8-15)13-21-14-18(20)19-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,20)
InChIKeyUULQZELYPOFXBS-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 110902360
2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 30560974
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773410
sodium 2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylacetate
CID 155944067
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86950636
2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 9418190
N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 113238688

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 5152285) is 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is Cc1ccc(CSCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is UULQZELYPOFXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-15-7-9-17(10-8-15)13-21-14-18(20)19-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,20).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 299.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 5152285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).