N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide

C14H19NO2S — CID 59270194

IUPACN-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide
SMILESCSc1ccccc1CN(C(C)=O)C(C)C(C)=O
InChIInChI=1S/C14H19NO2S/c1-10(11(2)16)15(12(3)17)9-13-7-5-6-8-14(13)18-4/h5-8,10H,9H2,1-4H3
InChIKeyVHDPZGAFWFBGMB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.73
Rot. Bonds5

About N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide

N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide (PubChem CID 59270194) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide
PubChem CID59270194
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide
SMILESCSc1ccccc1CN(C(C)=O)C(C)C(C)=O
InChIInChI=1S/C14H19NO2S/c1-10(11(2)16)15(12(3)17)9-13-7-5-6-8-14(13)18-4/h5-8,10H,9H2,1-4H3
InChIKeyVHDPZGAFWFBGMB-UHFFFAOYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide?
The IUPAC name of N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide (CID 59270194) is N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide.
What is the SMILES notation for N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide?
The canonical SMILES for N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide is CSc1ccccc1CN(C(C)=O)C(C)C(C)=O.
What is the InChIKey of N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide?
The InChIKey is VHDPZGAFWFBGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(11(2)16)15(12(3)17)9-13-7-5-6-8-14(13)18-4/h5-8,10H,9H2,1-4H3.
What are the key properties of N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide?
N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfanylphenyl)methyl]-N-(3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 59270194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).