[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

C19H22N5O3S+ — CID 7999974

IUPAC[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C19H21N5O3S/c1-3-24(11-17(25)20-13-7-4-5-10-16(13)27-2)12-18(26)21-14-8-6-9-15-19(14)23-28-22-15/h4-10H,3,11-12H2,1-2H3,(H,20,25)(H,21,26)/p+1
InChIKeyVIAGGKWIEYCXCN-UHFFFAOYSA-O
MW400.48 g/mol
LogP1.18
Rot. Bonds8

About [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 7999974) has the molecular formula C19H22N5O3S+ and a molecular weight of 400.48 g/mol. Its IUPAC name is [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
PubChem CID7999974
Molecular FormulaC19H22N5O3S+
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C19H21N5O3S/c1-3-24(11-17(25)20-13-7-4-5-10-16(13)27-2)12-18(26)21-14-8-6-9-15-19(14)23-28-22-15/h4-10H,3,11-12H2,1-2H3,(H,20,25)(H,21,26)/p+1
InChIKeyVIAGGKWIEYCXCN-UHFFFAOYSA-O
XLogP1.18
TPSA97.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 16523535
N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide
CID 711890
ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 7594329
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029684
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029857
[2-(2,5-dichloroanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029618
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8025166
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029443
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029622

Frequently Asked Questions

What is the IUPAC name of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (CID 7999974) is [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)Nc1cccc2nsnc12.
What is the InChIKey of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is VIAGGKWIEYCXCN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N5O3S/c1-3-24(11-17(25)20-13-7-4-5-10-16(13)27-2)12-18(26)21-14-8-6-9-15-19(14)23-28-22-15/h4-10H,3,11-12H2,1-2H3,(H,20,25)(H,21,26)/p+1.
What are the key properties of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 400.48 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 7999974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).