ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium

C17H23N4O4S2+ — CID 7830915

IUPACethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NCc1cccs1)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H22N4O4S2/c1-2-21(11-16(22)19-10-14-6-4-8-26-14)12-17(23)20-13-5-3-7-15(9-13)27(18,24)25/h3-9H,2,10-12H2,1H3,(H,19,22)(H,20,23)(H2,18,24,25)/p+1
InChIKeyNCURTJDARZKLMH-UHFFFAOYSA-O
MW411.53 g/mol
LogP-0.44
Rot. Bonds9

About ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium

ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium (PubChem CID 7830915) has the molecular formula C17H23N4O4S2+ and a molecular weight of 411.53 g/mol. Its IUPAC name is ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
PubChem CID7830915
Molecular FormulaC17H23N4O4S2+
Molecular Weight411.53 g/mol
Exact Mass411.12
IUPAC Nameethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NCc1cccs1)CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H22N4O4S2/c1-2-21(11-16(22)19-10-14-6-4-8-26-14)12-17(23)20-13-5-3-7-15(9-13)27(18,24)25/h3-9H,2,10-12H2,1H3,(H,19,22)(H,20,23)(H2,18,24,25)/p+1
InChIKeyNCURTJDARZKLMH-UHFFFAOYSA-O
XLogP-0.44
TPSA122.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium 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

ethyl-[2-(4-ethylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906112
ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906338
ethyl-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8592055
ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906119
[2-(1-adamantylmethylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8905656
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8905716
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906350
[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
CID 5029047
ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium
CID 7988270
[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 8926216
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718095

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?
The IUPAC name of ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium (CID 7830915) is ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?
The canonical SMILES for ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium is CC[NH+](CC(=O)NCc1cccs1)CC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?
The InChIKey is NCURTJDARZKLMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N4O4S2/c1-2-21(11-16(22)19-10-14-6-4-8-26-14)12-17(23)20-13-5-3-7-15(9-13)27(18,24)25/h3-9H,2,10-12H2,1H3,(H,19,22)(H,20,23)(H2,18,24,25)/p+1.
What are the key properties of ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?
ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium has a molecular weight of 411.53 g/mol, XLogP of -0.44, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium is sourced from PubChem (CID 7830915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).