2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide

C17H19NO2S — CID 110879948

IUPAC2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
SMILESCSc1ccc(CN(C)C(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-18(12-13-8-10-15(21-2)11-9-13)17(20)16(19)14-6-4-3-5-7-14/h3-11,16,19H,12H2,1-2H3
InChIKeyHVAVHWGKMJRBNU-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.10
Rot. Bonds5

About 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide

2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide (PubChem CID 110879948) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
PubChem CID110879948
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
SMILESCSc1ccc(CN(C)C(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-18(12-13-8-10-15(21-2)11-9-13)17(20)16(19)14-6-4-3-5-7-14/h3-11,16,19H,12H2,1-2H3
InChIKeyHVAVHWGKMJRBNU-UHFFFAOYSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 61163105
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072
2-bromo-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 43346484
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 31362954
2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonylbutanamide
CID 60937787
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide (CID 110879948) is 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide is CSc1ccc(CN(C)C(=O)C(O)c2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide?
The InChIKey is HVAVHWGKMJRBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18(12-13-8-10-15(21-2)11-9-13)17(20)16(19)14-6-4-3-5-7-14/h3-11,16,19H,12H2,1-2H3.
What are the key properties of 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide?
2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110879948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).