N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide

C17H19NO2S — CID 26777809

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
SMILESCOc1ccccc1CCNC(=O)CSc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-20-16-10-6-5-7-14(16)11-12-18-17(19)13-21-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyRXCUIXMSAJOILV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide

N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide (PubChem CID 26777809) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
PubChem CID26777809
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
SMILESCOc1ccccc1CCNC(=O)CSc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-20-16-10-6-5-7-14(16)11-12-18-17(19)13-21-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyRXCUIXMSAJOILV-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594453
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595396
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936648
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 38567183
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 8578826
2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 43299053

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide (CID 26777809) is N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide is COc1ccccc1CCNC(=O)CSc1ccccc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide?
The InChIKey is RXCUIXMSAJOILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-16-10-6-5-7-14(16)11-12-18-17(19)13-21-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 26777809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).