(2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide

C17H19NO3S — CID 94342118

IUPAC(2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide
SMILESCOc1ccc(OCCS[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-20-14-7-9-15(10-8-14)21-11-12-22-16(17(18)19)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H2,18,19)/t16-/m1/s1
InChIKeyIUXYPICQAIRJCL-MRXNPFEDSA-N
MW317.41 g/mol
LogP3.03
Rot. Bonds8

About (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide

(2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide (PubChem CID 94342118) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide
PubChem CID94342118
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide
SMILESCOc1ccc(OCCS[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-20-14-7-9-15(10-8-14)21-11-12-22-16(17(18)19)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H2,18,19)/t16-/m1/s1
InChIKeyIUXYPICQAIRJCL-MRXNPFEDSA-N
XLogP3.03
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenoxyethylsulfanyl)-2-phenylacetamide
CID 51926728
2-[2-(4-methoxyphenoxy)ethylsulfanyl]propan-1-amine
CID 66218381
methyl [(2-amino-2-oxo-1-phenylethyl)disulfanyl]formate
CID 22215743
2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542147
3-methyl-2-(2-phenoxyethylsulfanyl)butanoic acid
CID 105353973
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51299112
2-(3-methoxypropylsulfanyl)-2-phenylacetic acid
CID 63857542
2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 18134923
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
4-[2-(2-methoxyphenyl)sulfanylethoxy]benzoic acid
CID 20992099
2-(4-methoxyphenoxy)ethyl N'-aminocarbamimidothioate
CID 77060666
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
CID 101478548

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide (CID 94342118) is (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide is COc1ccc(OCCS[C@@H](C(N)=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide?
The InChIKey is IUXYPICQAIRJCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-14-7-9-15(10-8-14)21-11-12-22-16(17(18)19)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H2,18,19)/t16-/m1/s1.
What are the key properties of (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide?
(2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide has a molecular weight of 317.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide is sourced from PubChem (CID 94342118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).