N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide

C12H16FNO2S — CID 43392511

IUPACN-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESCCN(C(=O)CSCCO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-2-14(12(16)9-17-8-7-15)11-5-3-10(13)4-6-11/h3-6,15H,2,7-9H2,1H3
InChIKeyKIVHGPJHNIQPEC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.90
Rot. Bonds6

About N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide

N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide (PubChem CID 43392511) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide
PubChem CID43392511
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESCCN(C(=O)CSCCO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-2-14(12(16)9-17-8-7-15)11-5-3-10(13)4-6-11/h3-6,15H,2,7-9H2,1H3
InChIKeyKIVHGPJHNIQPEC-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide 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

3-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43092515
2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79683314
N-ethyl-N-(4-fluorophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66137274
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 86906521
3-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138051
2-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353735
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55380115
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide (CID 43392511) is N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide is CCN(C(=O)CSCCO)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide?
The InChIKey is KIVHGPJHNIQPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-2-14(12(16)9-17-8-7-15)11-5-3-10(13)4-6-11/h3-6,15H,2,7-9H2,1H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide?
N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide has a molecular weight of 257.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide is sourced from PubChem (CID 43392511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).