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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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).