2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide

C15H23NO2S — CID 78781233

IUPAC2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
SMILESCN(CCOc1ccccc1)C(=O)CSC(C)(C)C
InChIInChI=1S/C15H23NO2S/c1-15(2,3)19-12-14(17)16(4)10-11-18-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyDGLKMCDFDMBOHQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.06
Rot. Bonds6

About 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide

2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide (PubChem CID 78781233) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
PubChem CID78781233
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
SMILESCN(CCOc1ccccc1)C(=O)CSC(C)(C)C
InChIInChI=1S/C15H23NO2S/c1-15(2,3)19-12-14(17)16(4)10-11-18-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyDGLKMCDFDMBOHQ-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 20846546
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
(E)-4-[methyl(2-phenoxyethyl)amino]-4-oxobut-2-enoic acid
CID 54874915
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide (CID 78781233) is 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide is CN(CCOc1ccccc1)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide?
The InChIKey is DGLKMCDFDMBOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)19-12-14(17)16(4)10-11-18-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide?
2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 78781233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).