4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide

C23H33N7O3S — CID 23504730

IUPAC4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCn1cnc2c(Nc3ccc(S(=O)(=O)NCC(C)C)cc3)nc(NC3CCC(O)CC3)nc21
InChIInChI=1S/C23H33N7O3S/c1-4-30-14-24-20-21(28-23(29-22(20)30)27-17-5-9-18(31)10-6-17)26-16-7-11-19(12-8-16)34(32,33)25-13-15(2)3/h7-8,11-12,14-15,17-18,25,31H,4-6,9-10,13H2,1-3H3,(H2,26,27,28,29)
InChIKeyFHJUFFODFLZQEN-UHFFFAOYSA-N
MW487.63 g/mol
LogP3.24
Rot. Bonds9

About 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide

4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 23504730) has the molecular formula C23H33N7O3S and a molecular weight of 487.63 g/mol. Its IUPAC name is 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID23504730
Molecular FormulaC23H33N7O3S
Molecular Weight487.63 g/mol
Exact Mass487.24
IUPAC Name4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCn1cnc2c(Nc3ccc(S(=O)(=O)NCC(C)C)cc3)nc(NC3CCC(O)CC3)nc21
InChIInChI=1S/C23H33N7O3S/c1-4-30-14-24-20-21(28-23(29-22(20)30)27-17-5-9-18(31)10-6-17)26-16-7-11-19(12-8-16)34(32,33)25-13-15(2)3/h7-8,11-12,14-15,17-18,25,31H,4-6,9-10,13H2,1-3H3,(H2,26,27,28,29)
InChIKeyFHJUFFODFLZQEN-UHFFFAOYSA-N
XLogP3.24
TPSA134.06 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 23504708
N,N-dibutyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide
CID 23504675
N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-2-methylbenzenesulfonamide
CID 91474627
N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-2-methylphenyl]benzenesulfonamide
CID 23504668
4-[[9-ethyl-6-[4-(4-phenylpiperazin-1-yl)sulfonylanilino]purin-2-yl]amino]cyclohexan-1-ol
CID 23504684
4-[[9-ethyl-6-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylanilino]purin-2-yl]amino]cyclohexan-1-ol
CID 20743435
2-N-(4-aminocyclohexyl)-6-N-(4-dihydroxyphosphinothioylphenyl)-9-ethylpurine-2,6-diamine
CID 21059575
N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]phenyl]-N-butylmethanesulfonamide
CID 91583679
4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
CID 117081628
4-[[6-(4-bromo-3,5-dimethoxyanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
CID 176909297
4-[[9-cyclopropyl-6-(3,5-dimethoxyanilino)purin-2-yl]amino]cyclohexan-1-ol
CID 176909254
4-[[6-(4-bromo-3-methoxyanilino)-9-cyclopropylpurin-2-yl]amino]cyclohexan-1-ol
CID 176909237

Frequently Asked Questions

What is the IUPAC name of 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide (CID 23504730) is 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide is CCn1cnc2c(Nc3ccc(S(=O)(=O)NCC(C)C)cc3)nc(NC3CCC(O)CC3)nc21.
What is the InChIKey of 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is FHJUFFODFLZQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O3S/c1-4-30-14-24-20-21(28-23(29-22(20)30)27-17-5-9-18(31)10-6-17)26-16-7-11-19(12-8-16)34(32,33)25-13-15(2)3/h7-8,11-12,14-15,17-18,25,31H,4-6,9-10,13H2,1-3H3,(H2,26,27,28,29).
What are the key properties of 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide?
4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 487.63 g/mol, XLogP of 3.24, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 23504730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).