N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide

C16H17NO2S — CID 41320624

IUPACN-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-19-14-7-9-15(10-8-14)20-12-16(18)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyVWTBDCZRSYOHHI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.10
Rot. Bonds6

About N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide

N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 41320624) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID41320624
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-19-14-7-9-15(10-8-14)20-12-16(18)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyVWTBDCZRSYOHHI-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide
CID 101272246
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 29304367
2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9069058
N-benzyl-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5067092
2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 78851945

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide (CID 41320624) is N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is VWTBDCZRSYOHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-14-7-9-15(10-8-14)20-12-16(18)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide?
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 287.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 41320624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).