N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide

C17H19NO2S — CID 84603233

IUPACN-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide
SMILESCN(C(=O)CSCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-18(15-8-4-2-5-9-15)17(19)14-21-13-12-20-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyRPJSQFWQIGINIL-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.46
Rot. Bonds7

About N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide

N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide (PubChem CID 84603233) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide
PubChem CID84603233
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide
SMILESCN(C(=O)CSCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-18(15-8-4-2-5-9-15)17(19)14-21-13-12-20-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyRPJSQFWQIGINIL-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 49313061
2-(2-methylprop-2-enylsulfanyl)ethoxybenzene
CID 112777198
2-methyl-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 81222480
2-(2-ethoxyethylsulfanyl)ethoxybenzene
CID 112777213
2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
CID 23518875
2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide
CID 66231060
N-(2,6-dimethylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]sulfanylbutanamide
CID 31090336
[2-(N-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77059925
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113165999

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide (CID 84603233) is N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide is CN(C(=O)CSCCOc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide?
The InChIKey is RPJSQFWQIGINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18(15-8-4-2-5-9-15)17(19)14-21-13-12-20-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3.
What are the key properties of N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide?
N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide is sourced from PubChem (CID 84603233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).