N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide

C18H19NO3S — CID 23408886

IUPACN-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3S/c1-2-22-16-10-8-15(9-11-16)19-18(21)13-23-12-17(20)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyIOQSVSGLVCXDRF-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.64
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide

N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide (PubChem CID 23408886) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide
PubChem CID23408886
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3S/c1-2-22-16-10-8-15(9-11-16)19-18(21)13-23-12-17(20)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyIOQSVSGLVCXDRF-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenacylsulfanyl-N-phenylacetamide
CID 569693
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
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2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 39159101
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
2-(cyanomethylsulfanyl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 43069042
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide
CID 9145872
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 82181056

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide (CID 23408886) is N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide is CCOc1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide?
The InChIKey is IOQSVSGLVCXDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-2-22-16-10-8-15(9-11-16)19-18(21)13-23-12-17(20)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide?
N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide has a molecular weight of 329.42 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide is sourced from PubChem (CID 23408886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).