N-(2-methylsulfanylethoxy)-2-phenylacetamide

C11H15NO2S — CID 14273299

IUPACN-(2-methylsulfanylethoxy)-2-phenylacetamide
SMILESCSCCONC(=O)Cc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-15-8-7-14-12-11(13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyCVAATQITNNEJNG-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.64
Rot. Bonds6

About N-(2-methylsulfanylethoxy)-2-phenylacetamide

N-(2-methylsulfanylethoxy)-2-phenylacetamide (PubChem CID 14273299) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-methylsulfanylethoxy)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethoxy)-2-phenylacetamide
PubChem CID14273299
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(2-methylsulfanylethoxy)-2-phenylacetamide
SMILESCSCCONC(=O)Cc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-15-8-7-14-12-11(13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyCVAATQITNNEJNG-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethoxy)-2-phenylacetamide
CID 110294668
2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate
CID 19784058
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
methyl N-(2-methylsulfanylethoxy)carbamate
CID 130877598
2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate;prop-2-enoic acid
CID 19784057
2-(2-methylphenyl)-N-phenylmethoxyacetamide
CID 32578031
2-[2-(2-methoxyethoxyamino)-2-oxoethyl]benzoic acid
CID 104601734
2-(2-hydroxyphenyl)-N-(2-methoxyethoxy)acetamide
CID 79679652
methyl N-[methylsulfanyl-[(2-phenylacetyl)amino]methylidene]carbamate
CID 70602946
4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
CID 24536163
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
2-phenylacetic acid;propanedioic acid
CID 159349511

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethoxy)-2-phenylacetamide?
The IUPAC name of N-(2-methylsulfanylethoxy)-2-phenylacetamide (CID 14273299) is N-(2-methylsulfanylethoxy)-2-phenylacetamide.
What is the SMILES notation for N-(2-methylsulfanylethoxy)-2-phenylacetamide?
The canonical SMILES for N-(2-methylsulfanylethoxy)-2-phenylacetamide is CSCCONC(=O)Cc1ccccc1.
What is the InChIKey of N-(2-methylsulfanylethoxy)-2-phenylacetamide?
The InChIKey is CVAATQITNNEJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-15-8-7-14-12-11(13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13).
What are the key properties of N-(2-methylsulfanylethoxy)-2-phenylacetamide?
N-(2-methylsulfanylethoxy)-2-phenylacetamide has a molecular weight of 225.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethoxy)-2-phenylacetamide is sourced from PubChem (CID 14273299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).