N-(3-acetylphenyl)-2-benzylsulfanylacetamide

C17H17NO2S — CID 886875

IUPACN-(3-acetylphenyl)-2-benzylsulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSCc2ccccc2)c1
InChIInChI=1S/C17H17NO2S/c1-13(19)15-8-5-9-16(10-15)18-17(20)12-21-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyUZVKWVQHDLIPHI-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.76
Rot. Bonds6

About N-(3-acetylphenyl)-2-benzylsulfanylacetamide

N-(3-acetylphenyl)-2-benzylsulfanylacetamide (PubChem CID 886875) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-benzylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-benzylsulfanylacetamide
PubChem CID886875
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC NameN-(3-acetylphenyl)-2-benzylsulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSCc2ccccc2)c1
InChIInChI=1S/C17H17NO2S/c1-13(19)15-8-5-9-16(10-15)18-17(20)12-21-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyUZVKWVQHDLIPHI-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-benzylsulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-benzylsulfanylacetamide (CID 886875) is N-(3-acetylphenyl)-2-benzylsulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-benzylsulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-benzylsulfanylacetamide is CC(=O)c1cccc(NC(=O)CSCc2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-benzylsulfanylacetamide?
The InChIKey is UZVKWVQHDLIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-13(19)15-8-5-9-16(10-15)18-17(20)12-21-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-2-benzylsulfanylacetamide?
N-(3-acetylphenyl)-2-benzylsulfanylacetamide has a molecular weight of 299.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-benzylsulfanylacetamide is sourced from PubChem (CID 886875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).