N,N-diethyl-2-(4-sulfanylphenoxy)acetamide

C12H17NO2S — CID 23092623

IUPACN,N-diethyl-2-(4-sulfanylphenoxy)acetamide
SMILESCCN(CC)C(=O)COc1ccc(S)cc1
InChIInChI=1S/C12H17NO2S/c1-3-13(4-2)12(14)9-15-10-5-7-11(16)8-6-10/h5-8,16H,3-4,9H2,1-2H3
InChIKeyABHBKWHLKIHVQJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.22
Rot. Bonds5

About N,N-diethyl-2-(4-sulfanylphenoxy)acetamide

N,N-diethyl-2-(4-sulfanylphenoxy)acetamide (PubChem CID 23092623) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N,N-diethyl-2-(4-sulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-sulfanylphenoxy)acetamide
PubChem CID23092623
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN,N-diethyl-2-(4-sulfanylphenoxy)acetamide
SMILESCCN(CC)C(=O)COc1ccc(S)cc1
InChIInChI=1S/C12H17NO2S/c1-3-13(4-2)12(14)9-15-10-5-7-11(16)8-6-10/h5-8,16H,3-4,9H2,1-2H3
InChIKeyABHBKWHLKIHVQJ-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide
CID 82362951
N,N-diethyl-2-[4-(ethylaminomethyl)phenoxy]acetamide
CID 43276989
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128546
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856
N,N-diethyl-2-[4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide
CID 82364486
2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid
CID 82228535
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-sulfanylphenoxy)acetamide?
The IUPAC name of N,N-diethyl-2-(4-sulfanylphenoxy)acetamide (CID 23092623) is N,N-diethyl-2-(4-sulfanylphenoxy)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-sulfanylphenoxy)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-sulfanylphenoxy)acetamide is CCN(CC)C(=O)COc1ccc(S)cc1.
What is the InChIKey of N,N-diethyl-2-(4-sulfanylphenoxy)acetamide?
The InChIKey is ABHBKWHLKIHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-13(4-2)12(14)9-15-10-5-7-11(16)8-6-10/h5-8,16H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-sulfanylphenoxy)acetamide?
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide has a molecular weight of 239.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-sulfanylphenoxy)acetamide is sourced from PubChem (CID 23092623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).