N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide

C121H108N18O8S4 — CID 157489366

IUPACN-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1.CC(C)NS(=O)(=O)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.CCCS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1.O=S(=O)(NCc1ccccc1)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C33H27N5O2S.C30H28N4O2S.C29H27N5O2S.C29H26N4O2S/c39-41(40,36-22-24-11-3-1-4-12-24)28-17-9-15-26(21-28)32-37-30-19-10-18-29(25-13-5-2-6-14-25)31(30)33(38-32)35-23-27-16-7-8-20-34-27;1-21(2)20-37(35,36)25-16-14-23(15-17-25)29-33-27-13-8-12-26(22-9-4-3-5-10-22)28(27)30(34-29)32-19-24-11-6-7-18-31-24;1-20(2)34-37(35,36)24-14-8-12-22(18-24)28-32-26-16-9-15-25(21-10-4-3-5-11-21)27(26)29(33-28)31-19-23-13-6-7-17-30-23;1-2-19-36(34,35)24-16-14-22(15-17-24)28-32-26-13-8-12-25(21-9-4-3-5-10-21)27(26)29(33-28)31-20-23-11-6-7-18-30-23/h1-21,36H,22-23H2,(H,35,37,38);3-18,21H,19-20H2,1-2H3,(H,32,33,34);3-18,20,34H,19H2,1-2H3,(H,31,32,33);3-18H,2,19-20H2,1H3,(H,31,32,33)
InChIKeyBXBZDOXQVAUDFS-UHFFFAOYSA-N
MW2070.58 g/mol
LogP24.66
Rot. Bonds33

About N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide

N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 157489366) has the molecular formula C121H108N18O8S4 and a molecular weight of 2070.58 g/mol. Its IUPAC name is N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide
PubChem CID157489366
Molecular FormulaC121H108N18O8S4
Molecular Weight2070.58 g/mol
Exact Mass2068.75
IUPAC NameN-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1.CC(C)NS(=O)(=O)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.CCCS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1.O=S(=O)(NCc1ccccc1)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C33H27N5O2S.C30H28N4O2S.C29H27N5O2S.C29H26N4O2S/c39-41(40,36-22-24-11-3-1-4-12-24)28-17-9-15-26(21-28)32-37-30-19-10-18-29(25-13-5-2-6-14-25)31(30)33(38-32)35-23-27-16-7-8-20-34-27;1-21(2)20-37(35,36)25-16-14-23(15-17-25)29-33-27-13-8-12-26(22-9-4-3-5-10-22)28(27)30(34-29)32-19-24-11-6-7-18-31-24;1-20(2)34-37(35,36)24-14-8-12-22(18-24)28-32-26-16-9-15-25(21-10-4-3-5-11-21)27(26)29(33-28)31-19-23-13-6-7-17-30-23;1-2-19-36(34,35)24-16-14-22(15-17-24)28-32-26-13-8-12-25(21-9-4-3-5-10-21)27(26)29(33-28)31-20-23-11-6-7-18-30-23/h1-21,36H,22-23H2,(H,35,37,38);3-18,21H,19-20H2,1-2H3,(H,32,33,34);3-18,20,34H,19H2,1-2H3,(H,31,32,33);3-18H,2,19-20H2,1H3,(H,31,32,33)
InChIKeyBXBZDOXQVAUDFS-UHFFFAOYSA-N
XLogP24.66
TPSA363.42 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002070.58
LogP ≤ 524.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
4-[2-[(5-Phenyl-2-pyrimidin-5-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide
CID 137657379
5-[5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-2-sulfonamide
CID 68205002
3-[5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-4-sulfonamide
CID 68205062
6-[5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-2-sulfonamide
CID 137644777
N-tert-butyl-5-(5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 67055869
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 67118742
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 67118743
2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 68205139
N-[(6-fluoro-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine
CID 68205156
N-[(5-fluoro-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine
CID 68205166
2-(5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 68205167

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide (CID 157489366) is N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide is CC(C)CS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1.CC(C)NS(=O)(=O)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.CCCS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1.O=S(=O)(NCc1ccccc1)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.
What is the InChIKey of N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is BXBZDOXQVAUDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N5O2S.C30H28N4O2S.C29H27N5O2S.C29H26N4O2S/c39-41(40,36-22-24-11-3-1-4-12-24)28-17-9-15-26(21-28)32-37-30-19-10-18-29(25-13-5-2-6-14-25)31(30)33(38-32)35-23-27-16-7-8-20-34-27;1-21(2)20-37(35,36)25-16-14-23(15-17-25)29-33-27-13-8-12-26(22-9-4-3-5-10-22)28(27)30(34-29)32-19-24-11-6-7-18-31-24;1-20(2)34-37(35,36)24-14-8-12-22(18-24)28-32-26-16-9-15-25(21-10-4-3-5-11-21)27(26)29(33-28)31-19-23-13-6-7-17-30-23;1-2-19-36(34,35)24-16-14-22(15-17-24)28-32-26-13-8-12-25(21-9-4-3-5-10-21)27(26)29(33-28)31-20-23-11-6-7-18-30-23/h1-21,36H,22-23H2,(H,35,37,38);3-18,21H,19-20H2,1-2H3,(H,32,33,34);3-18,20,34H,19H2,1-2H3,(H,31,32,33);3-18H,2,19-20H2,1H3,(H,31,32,33).
What are the key properties of N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide?
N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 2070.58 g/mol, XLogP of 24.66, 33 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;2-[4-(2-methylpropylsulfonyl)phenyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-2-(4-propylsulfonylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine;3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 157489366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).