2-[4-(2-butoxyethoxy)phenyl]ethanethioamide

C14H21NO2S — CID 43291475

IUPAC2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
SMILESCCCCOCCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C14H21NO2S/c1-2-3-8-16-9-10-17-13-6-4-12(5-7-13)11-14(15)18/h4-7H,2-3,8-11H2,1H3,(H2,15,18)
InChIKeyWZDVVMWTIDLTPY-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.71
Rot. Bonds9

About 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide

2-[4-(2-butoxyethoxy)phenyl]ethanethioamide (PubChem CID 43291475) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
PubChem CID43291475
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
SMILESCCCCOCCOc1ccc(CC(N)=S)cc1
InChIInChI=1S/C14H21NO2S/c1-2-3-8-16-9-10-17-13-6-4-12(5-7-13)11-14(15)18/h4-7H,2-3,8-11H2,1H3,(H2,15,18)
InChIKeyWZDVVMWTIDLTPY-UHFFFAOYSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide 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

2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
CID 43291468
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
2-[4-(2-pentan-2-yloxyethoxy)phenyl]ethanethioamide
CID 102981871
2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
2-[4-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]phenyl]ethanethioamide
CID 43291426
2-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]ethanethioamide
CID 43291208
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide?
The IUPAC name of 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide (CID 43291475) is 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide?
The canonical SMILES for 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide is CCCCOCCOc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide?
The InChIKey is WZDVVMWTIDLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-3-8-16-9-10-17-13-6-4-12(5-7-13)11-14(15)18/h4-7H,2-3,8-11H2,1H3,(H2,15,18).
What are the key properties of 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide?
2-[4-(2-butoxyethoxy)phenyl]ethanethioamide has a molecular weight of 267.39 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butoxyethoxy)phenyl]ethanethioamide is sourced from PubChem (CID 43291475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).