N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide

C17H18FNO2S — CID 55380115

IUPACN-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(OC)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-3-19(14-6-4-13(18)5-7-14)17(20)12-22-16-10-8-15(21-2)9-11-16/h4-11H,3,12H2,1-2H3
InChIKeyCMLZWLBMVPYJNW-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.98
Rot. Bonds6

About N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 55380115) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID55380115
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(OC)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-3-19(14-6-4-13(18)5-7-14)17(20)12-22-16-10-8-15(21-2)9-11-16/h4-11H,3,12H2,1-2H3
InChIKeyCMLZWLBMVPYJNW-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide 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-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
CID 99164681
2-chloro-N-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981
N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888662
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 54900940
N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392511
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
2-[carboxymethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 63651913
N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7489091
3-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43092515
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-4-methoxybenzamide
CID 60717695
N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
CID 78883434

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 55380115) is N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide is CCN(C(=O)CSc1ccc(OC)cc1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is CMLZWLBMVPYJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-3-19(14-6-4-13(18)5-7-14)17(20)12-22-16-10-8-15(21-2)9-11-16/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 319.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 55380115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).