N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide

C14H19NO3S — CID 103705558

IUPACN-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide
SMILESCC(O)C(C)SCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO3S/c1-10(16)11(2)19-9-14(18)15-13(17)8-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyUPJITDFWSQXAMS-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.37
Rot. Bonds6

About N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide

N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide (PubChem CID 103705558) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide
PubChem CID103705558
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide
SMILESCC(O)C(C)SCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H19NO3S/c1-10(16)11(2)19-9-14(18)15-13(17)8-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyUPJITDFWSQXAMS-UHFFFAOYSA-N
XLogP1.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
CID 66217235
2-methyl-3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanylpropanoic acid
CID 64914908
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 103706138
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705800
4-chloro-N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
CID 107771216
N-(2-methylpropanethioyl)-2-phenylacetamide
CID 134493410
N-(2-cyanophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244452
N-(2-phenylacetyl)octadecanamide
CID 175258087
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-phenylacetamide
CID 3618238
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
(3S,4R)-4-hydroxy-3-(methylamino)-1-phenylpentan-2-one
CID 23519310

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide (CID 103705558) is N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide is CC(O)C(C)SCC(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide?
The InChIKey is UPJITDFWSQXAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10(16)11(2)19-9-14(18)15-13(17)8-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide?
N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide is sourced from PubChem (CID 103705558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).