N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide

C30H28N4O2S — CID 121378090

IUPACN-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1nc(NCC(c2ccccc2)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C30H28N4O2S/c1-21-19-24(34-37(2,35)36)17-18-25(21)30-32-28-16-10-9-15-26(28)29(33-30)31-20-27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-19,27,34H,20H2,1-2H3,(H,31,32,33)
InChIKeyOQYSEPCLWCWESY-UHFFFAOYSA-N
MW508.65 g/mol
LogP6.22
Rot. Bonds8

About N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide

N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide (PubChem CID 121378090) has the molecular formula C30H28N4O2S and a molecular weight of 508.65 g/mol. Its IUPAC name is N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide
PubChem CID121378090
Molecular FormulaC30H28N4O2S
Molecular Weight508.65 g/mol
Exact Mass508.19
IUPAC NameN-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1nc(NCC(c2ccccc2)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C30H28N4O2S/c1-21-19-24(34-37(2,35)36)17-18-25(21)30-32-28-16-10-9-15-26(28)29(33-30)31-20-27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-19,27,34H,20H2,1-2H3,(H,31,32,33)
InChIKeyOQYSEPCLWCWESY-UHFFFAOYSA-N
XLogP6.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.65
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378083
N-[4-[4-[(2-phenyl-2-pyridin-3-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378099
N-[4-[4-[(2-phenyl-2-pyrimidin-2-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378089
2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
CID 121377251
N-(2,2-diphenylethyl)-2-(2-methylisoindol-4-yl)quinazolin-4-amine
CID 121388227
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine
CID 121377287
N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
CID 121377327
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide
CID 56653356
2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine
CID 121377264
2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol
CID 135898999

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide (CID 121378090) is N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1-c1nc(NCC(c2ccccc2)c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide?
The InChIKey is OQYSEPCLWCWESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2S/c1-21-19-24(34-37(2,35)36)17-18-25(21)30-32-28-16-10-9-15-26(28)29(33-30)31-20-27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-19,27,34H,20H2,1-2H3,(H,31,32,33).
What are the key properties of N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide?
N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide has a molecular weight of 508.65 g/mol, XLogP of 6.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide is sourced from PubChem (CID 121378090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).