N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide

C18H21NO2S — CID 97416790

IUPACN-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide
SMILESCSc1ccc([C@H](O)CNC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2S/c1-13-4-3-5-14(10-13)11-18(21)19-12-17(20)15-6-8-16(22-2)9-7-15/h3-10,17,20H,11-12H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyGAQVHOQTYOKARS-QGZVFWFLSA-N
MW315.44 g/mol
LogP3.11
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide

N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 97416790) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide
PubChem CID97416790
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide
SMILESCSc1ccc([C@H](O)CNC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2S/c1-13-4-3-5-14(10-13)11-18(21)19-12-17(20)15-6-8-16(22-2)9-7-15/h3-10,17,20H,11-12H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyGAQVHOQTYOKARS-QGZVFWFLSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(3-methylphenyl)acetamide
CID 90581416
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide
CID 97416787
2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 90581804
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110888958
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide
CID 64540830
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
N-benzyl-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803886
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 90582021
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide (CID 97416790) is N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide is CSc1ccc([C@H](O)CNC(=O)Cc2cccc(C)c2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is GAQVHOQTYOKARS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-4-3-5-14(10-13)11-18(21)19-12-17(20)15-6-8-16(22-2)9-7-15/h3-10,17,20H,11-12H2,1-2H3,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide?
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 97416790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).