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

C18H21NO2S — CID 110007036

IUPAC2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CSCc1ccc(CO)cc1
InChIInChI=1S/C18H21NO2S/c1-14-4-2-3-5-17(14)10-19-18(21)13-22-12-16-8-6-15(11-20)7-9-16/h2-9,20H,10-13H2,1H3,(H,19,21)
InChIKeyIRMOVROULRUJFL-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.04
Rot. Bonds7

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

2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 110007036) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID110007036
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CSCc1ccc(CO)cc1
InChIInChI=1S/C18H21NO2S/c1-14-4-2-3-5-17(14)10-19-18(21)13-22-12-16-8-6-15(11-20)7-9-16/h2-9,20H,10-13H2,1H3,(H,19,21)
InChIKeyIRMOVROULRUJFL-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-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 110902360
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 4184529
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
CID 83518674
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
N-[(2-chlorophenyl)methyl]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 126154095
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide (CID 110007036) is 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CSCc1ccc(CO)cc1.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is IRMOVROULRUJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-4-2-3-5-17(14)10-19-18(21)13-22-12-16-8-6-15(11-20)7-9-16/h2-9,20H,10-13H2,1H3,(H,19,21).
What are the key properties of 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]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 2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 110007036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).