[4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea

C24H24N6O4S — CID 68599575

IUPAC[4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea
SMILESCCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3ccc(NC(N)=O)cc3)cc12
InChIInChI=1S/C24H24N6O4S/c1-2-34-22-20-13-17(16-5-8-18(9-6-16)28-23(25)31)7-12-21(20)29-24(30-22)27-14-15-3-10-19(11-4-15)35(26,32)33/h3-13H,2,14H2,1H3,(H3,25,28,31)(H2,26,32,33)(H,27,29,30)
InChIKeyIJPDSEVBTOTUST-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.45
Rot. Bonds8

About [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea

[4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea (PubChem CID 68599575) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea
PubChem CID68599575
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC Name[4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea
SMILESCCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3ccc(NC(N)=O)cc3)cc12
InChIInChI=1S/C24H24N6O4S/c1-2-34-22-20-13-17(16-5-8-18(9-6-16)28-23(25)31)7-12-21(20)29-24(30-22)27-14-15-3-10-19(11-4-15)35(26,32)33/h3-13H,2,14H2,1H3,(H3,25,28,31)(H2,26,32,33)(H,27,29,30)
InChIKeyIJPDSEVBTOTUST-UHFFFAOYSA-N
XLogP3.45
TPSA162.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea with MolForge

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Related Compounds

[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea
CID 24962201
4-[[(6-chloro-4-ethoxypyrido[3,2-d]pyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 59767233
[4-[2-[(4-sulfamoylphenyl)methylamino]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamic acid
CID 69319720
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
2-[2-chloro-6-ethoxy-4-[(4-sulfamoylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539433
4-[[[6-(4-aminophenyl)-4-cyclopropyloxypyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 69319698
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 22222239
[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid
CID 57375750
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188

Frequently Asked Questions

What is the IUPAC name of [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea?
The IUPAC name of [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea (CID 68599575) is [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea.
What is the SMILES notation for [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea?
The canonical SMILES for [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea is CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3ccc(NC(N)=O)cc3)cc12.
What is the InChIKey of [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea?
The InChIKey is IJPDSEVBTOTUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-2-34-22-20-13-17(16-5-8-18(9-6-16)28-23(25)31)7-12-21(20)29-24(30-22)27-14-15-3-10-19(11-4-15)35(26,32)33/h3-13H,2,14H2,1H3,(H3,25,28,31)(H2,26,32,33)(H,27,29,30).
What are the key properties of [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea?
[4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea has a molecular weight of 492.56 g/mol, XLogP of 3.45, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea is sourced from PubChem (CID 68599575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).