N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide

C32H38N4O2S — CID 146603655

IUPACN-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide
SMILESCCc1cc(-c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2C)cc2cnc(N(C)C3CCCCC3)nc12
InChIInChI=1S/C32H38N4O2S/c1-6-24-18-25(19-26-20-33-32(34-31(24)26)36(5)28-10-8-7-9-11-28)29-15-14-27(17-23(29)4)35-39(37,38)30-16-21(2)12-13-22(30)3/h12-20,28,35H,6-11H2,1-5H3
InChIKeyCUSOEKGWTQAOPX-UHFFFAOYSA-N
MW542.75 g/mol
LogP7.35
Rot. Bonds7

About N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide

N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 146603655) has the molecular formula C32H38N4O2S and a molecular weight of 542.75 g/mol. Its IUPAC name is N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID146603655
Molecular FormulaC32H38N4O2S
Molecular Weight542.75 g/mol
Exact Mass542.27
IUPAC NameN-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide
SMILESCCc1cc(-c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2C)cc2cnc(N(C)C3CCCCC3)nc12
InChIInChI=1S/C32H38N4O2S/c1-6-24-18-25(19-26-20-33-32(34-31(24)26)36(5)28-10-8-7-9-11-28)29-15-14-27(17-23(29)4)35-39(37,38)30-16-21(2)12-13-22(30)3/h12-20,28,35H,6-11H2,1-5H3
InChIKeyCUSOEKGWTQAOPX-UHFFFAOYSA-N
XLogP7.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.75
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[4-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-3-methylphenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 146603651
N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-6-methyl-2-pyridinyl]benzenesulfonamide
CID 166740466
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010183
2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methyl-2-pyridinyl]-3-fluorobenzenesulfonamide
CID 138676653
[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamic acid
CID 137351781
2-N-cyclohexyl-2-N-methyl-5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine
CID 53336128
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793
N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide
CID 46771981
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
2-chloro-N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-6-methylpyrazin-2-yl]benzenesulfonamide
CID 138706903

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide (CID 146603655) is N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide is CCc1cc(-c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2C)cc2cnc(N(C)C3CCCCC3)nc12.
What is the InChIKey of N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is CUSOEKGWTQAOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O2S/c1-6-24-18-25(19-26-20-33-32(34-31(24)26)36(5)28-10-8-7-9-11-28)29-15-14-27(17-23(29)4)35-39(37,38)30-16-21(2)12-13-22(30)3/h12-20,28,35H,6-11H2,1-5H3.
What are the key properties of N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide?
N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 542.75 g/mol, XLogP of 7.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclohexyl(methyl)amino]-8-ethylquinazolin-6-yl]-3-methylphenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 146603655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).