10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide

C25H26N2O3S — CID 67629177

IUPAC10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)c2cccc3c2Cc2ccccc2N3C)C(C)C)cc1
InChIInChI=1S/C25H26N2O3S/c1-17(2)27(31(29,30)20-14-12-18(3)13-15-20)25(28)21-9-7-11-24-22(21)16-19-8-5-6-10-23(19)26(24)4/h5-15,17H,16H2,1-4H3
InChIKeyHQHJJGAMWCYMFW-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.91
Rot. Bonds4

About 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide

10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide (PubChem CID 67629177) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide.

Molecular Properties

Compound Name10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide
PubChem CID67629177
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)c2cccc3c2Cc2ccccc2N3C)C(C)C)cc1
InChIInChI=1S/C25H26N2O3S/c1-17(2)27(31(29,30)20-14-12-18(3)13-15-20)25(28)21-9-7-11-24-22(21)16-19-8-5-6-10-23(19)26(24)4/h5-15,17H,16H2,1-4H3
InChIKeyHQHJJGAMWCYMFW-UHFFFAOYSA-N
XLogP4.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide?
The IUPAC name of 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide (CID 67629177) is 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide.
What is the SMILES notation for 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide?
The canonical SMILES for 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide is Cc1ccc(S(=O)(=O)N(C(=O)c2cccc3c2Cc2ccccc2N3C)C(C)C)cc1.
What is the InChIKey of 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide?
The InChIKey is HQHJJGAMWCYMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-17(2)27(31(29,30)20-14-12-18(3)13-15-20)25(28)21-9-7-11-24-22(21)16-19-8-5-6-10-23(19)26(24)4/h5-15,17H,16H2,1-4H3.
What are the key properties of 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide?
10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9H-acridine-1-carboxamide is sourced from PubChem (CID 67629177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).