N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

C18H21NO2S — CID 110902360

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C18H21NO2S/c1-14-6-8-15(9-7-14)12-22-13-18(21)19-10-16-4-2-3-5-17(16)11-20/h2-9,20H,10-13H2,1H3,(H,19,21)
InChIKeyOTBSQPZZJNDYKQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.04
Rot. Bonds7

About N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 110902360) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID110902360
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C18H21NO2S/c1-14-6-8-15(9-7-14)12-22-13-18(21)19-10-16-4-2-3-5-17(16)11-20/h2-9,20H,10-13H2,1H3,(H,19,21)
InChIKeyOTBSQPZZJNDYKQ-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 110007036
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
2-[(4-methylphenyl)methylsulfanyl]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33452266
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86950453
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 2812444
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110909081
2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94043023
N-[(2-chlorophenyl)methyl]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 126154095

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 110902360) is N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NCc2ccccc2CO)cc1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is OTBSQPZZJNDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-6-8-15(9-7-14)12-22-13-18(21)19-10-16-4-2-3-5-17(16)11-20/h2-9,20H,10-13H2,1H3,(H,19,21).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 110902360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).