ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium

C19H25N4O5S+ — CID 2442436

IUPACethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H24N4O5S/c1-3-23(12-18(24)21-14-4-8-16(28-2)9-5-14)13-19(25)22-15-6-10-17(11-7-15)29(20,26)27/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)(H2,20,26,27)/p+1
InChIKeyUUHPFZUJAJLFJF-UHFFFAOYSA-O
MW421.50 g/mol
LogP-0.18
Rot. Bonds9

About ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium

ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium (PubChem CID 2442436) has the molecular formula C19H25N4O5S+ and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
PubChem CID2442436
Molecular FormulaC19H25N4O5S+
Molecular Weight421.50 g/mol
Exact Mass421.15
IUPAC Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H24N4O5S/c1-3-23(12-18(24)21-14-4-8-16(28-2)9-5-14)13-19(25)22-15-6-10-17(11-7-15)29(20,26)27/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)(H2,20,26,27)/p+1
InChIKeyUUHPFZUJAJLFJF-UHFFFAOYSA-O
XLogP-0.18
TPSA132.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-[2-(4-sulfamoylphenyl)hydrazinyl]acetamide
CID 2487783
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027195
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9027389
2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide
CID 86766210
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9028002
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323630
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
2-(3-methoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 19204089
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium?
The IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium (CID 2442436) is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium?
The canonical SMILES for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium is CC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium?
The InChIKey is UUHPFZUJAJLFJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4O5S/c1-3-23(12-18(24)21-14-4-8-16(28-2)9-5-14)13-19(25)22-15-6-10-17(11-7-15)29(20,26)27/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)(H2,20,26,27)/p+1.
What are the key properties of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium?
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium has a molecular weight of 421.50 g/mol, XLogP of -0.18, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium is sourced from PubChem (CID 2442436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).