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

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Related Compounds

10-methyl-9H-acridin-1-ol
CID 67275836
8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine
CID 158800879
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 27055363
3-(N-(4-methylphenyl)sulfonyl-2-propan-2-ylanilino)propanoic acid
CID 50893700
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
4-methylbenzenesulfonic acid;phthalic acid
CID 87829306
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55646194
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30212131
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612
4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
CID 92534233
4-methylbenzenesulfonic acid;2-methyl-3,4-dihydro-1H-isoquinoline
CID 86651819
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995385

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).