N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide

C22H20N4O3S — CID 12999241

IUPACN-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12
InChIInChI=1S/C22H20N4O3S/c1-14(27)23-20-9-5-7-18-21(17-6-3-4-8-19(17)25-22(18)20)24-15-10-12-16(13-11-15)26-30(2,28)29/h3-13,26H,1-2H3,(H,23,27)(H,24,25)
InChIKeyJVFNEURKRMZQEW-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.46
Rot. Bonds5

About N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide

N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide (PubChem CID 12999241) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide
PubChem CID12999241
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12
InChIInChI=1S/C22H20N4O3S/c1-14(27)23-20-9-5-7-18-21(17-6-3-4-8-19(17)25-22(18)20)24-15-10-12-16(13-11-15)26-30(2,28)29/h3-13,26H,1-2H3,(H,23,27)(H,24,25)
InChIKeyJVFNEURKRMZQEW-UHFFFAOYSA-N
XLogP4.46
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide?
The IUPAC name of N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide (CID 12999241) is N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide.
What is the SMILES notation for N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide?
The canonical SMILES for N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide is CC(=O)Nc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12.
What is the InChIKey of N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide?
The InChIKey is JVFNEURKRMZQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14(27)23-20-9-5-7-18-21(17-6-3-4-8-19(17)25-22(18)20)24-15-10-12-16(13-11-15)26-30(2,28)29/h3-13,26H,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide?
N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[4-(methanesulfonamido)anilino]acridin-4-yl]acetamide is sourced from PubChem (CID 12999241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).