N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

C18H21NO2S — CID 110931174

IUPACN-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C18H21NO2S/c1-14-6-5-7-15(10-14)12-22-13-18(21)19-17(11-20)16-8-3-2-4-9-16/h2-10,17,20H,11-13H2,1H3,(H,19,21)
InChIKeyMAGAOJDGXKTHHI-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.08
Rot. Bonds7

About N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 110931174) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID110931174
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C18H21NO2S/c1-14-6-5-7-15(10-14)12-22-13-18(21)19-17(11-20)16-8-3-2-4-9-16/h2-10,17,20H,11-13H2,1H3,(H,19,21)
InChIKeyMAGAOJDGXKTHHI-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanoate
CID 71944020
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134029390
N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 78786783
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 43387082
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 132651277
methyl (3R)-3-(2-chlorophenyl)-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoate
CID 38590001
methyl (3S)-3-(2-chlorophenyl)-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoate
CID 38590005
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
2-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 80538249
3-methyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]pentanamide
CID 86976228

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 110931174) is N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)NC(CO)c2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is MAGAOJDGXKTHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-6-5-7-15(10-14)12-22-13-18(21)19-17(11-20)16-8-3-2-4-9-16/h2-10,17,20H,11-13H2,1H3,(H,19,21).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 110931174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).