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

C18H21NOS — CID 846734

IUPAC2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccccc1CSCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H21NOS/c1-15-7-5-6-10-17(15)13-21-14-18(20)19-12-11-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,19,20)
InChIKeyOKLOUPIFNNVPFA-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.59
Rot. Bonds7

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

2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 846734) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID846734
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccccc1CSCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H21NOS/c1-15-7-5-6-10-17(15)13-21-14-18(20)19-12-11-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,19,20)
InChIKeyOKLOUPIFNNVPFA-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-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-[(2-methylphenyl)methylsulfanyl]-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 90648615
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100564139
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 7654950
2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571
2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 30560974
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2206380
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
sodium 2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylacetate
CID 155944067

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 846734) is 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is Cc1ccccc1CSCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is OKLOUPIFNNVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-15-7-5-6-10-17(15)13-21-14-18(20)19-12-11-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,19,20).
What are the key properties of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[(2-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-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 846734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).