[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium

C20H25FN3O2S+ — CID 8791356

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium
SMILESCC[NH+](CCSc1ccccc1F)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24FN3O2S/c1-3-24(12-13-27-19-7-5-4-6-18(19)21)14-20(26)23-17-10-8-16(9-11-17)22-15(2)25/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyDXEKNGMAZRIEDF-UHFFFAOYSA-O
MW390.50 g/mol
LogP2.42
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium (PubChem CID 8791356) has the molecular formula C20H25FN3O2S+ and a molecular weight of 390.50 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium
PubChem CID8791356
Molecular FormulaC20H25FN3O2S+
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium
SMILESCC[NH+](CCSc1ccccc1F)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24FN3O2S/c1-3-24(12-13-27-19-7-5-4-6-18(19)21)14-20(26)23-17-10-8-16(9-11-17)22-15(2)25/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyDXEKNGMAZRIEDF-UHFFFAOYSA-O
XLogP2.42
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
N-[4-[2-(2-fluorophenyl)sulfanylethoxy]phenyl]acetamide
CID 9353797
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934
2-(2-fluorophenyl)sulfanylethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8558868
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium
CID 8779437
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium (CID 8791356) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium is CC[NH+](CCSc1ccccc1F)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium?
The InChIKey is DXEKNGMAZRIEDF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24FN3O2S/c1-3-24(12-13-27-19-7-5-4-6-18(19)21)14-20(26)23-17-10-8-16(9-11-17)22-15(2)25/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium has a molecular weight of 390.50 g/mol, XLogP of 2.42, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium is sourced from PubChem (CID 8791356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).