N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide

C14H21NO2S — CID 2269123

IUPACN-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide
SMILESCC(C)(C)SCCNC(=O)COc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)18-10-9-15-13(16)11-17-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyRRUJJBFXOATJBA-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.71
Rot. Bonds6

About N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide

N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide (PubChem CID 2269123) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide
PubChem CID2269123
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide
SMILESCC(C)(C)SCCNC(=O)COc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)18-10-9-15-13(16)11-17-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyRRUJJBFXOATJBA-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mefexamide
CID 4045
N-cyclohexyl-2-phenoxyacetamide
CID 832666
N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 80619
2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2533627
N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 2850487
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 2935977
N-(Phenoxyacetyl)methionine
CID 3688853
Mefexamide hydrochloride
CID 3083802
N-ethyl-2-(4-ethylphenoxy)acetamide
CID 3474705
Thiazolidine, 3-((2-ethoxyethoxy)acetyl)-2-((2-methoxyphenoxy)methyl)-
CID 3025458
1-(Phenoxyacetyl)piperazine
CID 771959
N-(2-methoxyethyl)-2-(4-phenoxyphenoxy)acetamide
CID 2323541

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide (CID 2269123) is N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide is CC(C)(C)SCCNC(=O)COc1ccccc1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide?
The InChIKey is RRUJJBFXOATJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)18-10-9-15-13(16)11-17-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide?
N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide has a molecular weight of 267.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-phenoxyacetamide is sourced from PubChem (CID 2269123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).