N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride

C23H24ClN5O3S — CID 90678372

IUPACN-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride
SMILESCl.NCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C23H23N5O3S.ClH/c24-15-22(29)25-13-14-32(30,31)28-17-11-9-16(10-12-17)26-23-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)23;/h1-12,28H,13-15,24H2,(H,25,29)(H,26,27);1H
InChIKeyBBGNLOFHYBSPAC-UHFFFAOYSA-N
MW486.00 g/mol
LogP3.37
Rot. Bonds8

About N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride

N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride (PubChem CID 90678372) has the molecular formula C23H24ClN5O3S and a molecular weight of 486.00 g/mol. Its IUPAC name is N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride
PubChem CID90678372
Molecular FormulaC23H24ClN5O3S
Molecular Weight486.00 g/mol
Exact Mass485.13
IUPAC NameN-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride
SMILESCl.NCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C23H23N5O3S.ClH/c24-15-22(29)25-13-14-32(30,31)28-17-11-9-16(10-12-17)26-23-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)23;/h1-12,28H,13-15,24H2,(H,25,29)(H,26,27);1H
InChIKeyBBGNLOFHYBSPAC-UHFFFAOYSA-N
XLogP3.37
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.00
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride?
The IUPAC name of N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride (CID 90678372) is N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride.
What is the SMILES notation for N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride?
The canonical SMILES for N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride is Cl.NCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride?
The InChIKey is BBGNLOFHYBSPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S.ClH/c24-15-22(29)25-13-14-32(30,31)28-17-11-9-16(10-12-17)26-23-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)23;/h1-12,28H,13-15,24H2,(H,25,29)(H,26,27);1H.
What are the key properties of N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride?
N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride has a molecular weight of 486.00 g/mol, XLogP of 3.37, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]ethyl]-2-aminoacetamide;hydrochloride is sourced from PubChem (CID 90678372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).