N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide

C32H32N6O3S — CID 25073629

IUPACN-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C32H32N6O3S/c1-22-13-18-26(42(40,41)33-19-20-38(2)3)21-29(22)35-31(39)24-14-16-25(17-15-24)34-32-36-28-12-8-7-11-27(28)30(37-32)23-9-5-4-6-10-23/h4-18,21,33H,19-20H2,1-3H3,(H,35,39)(H,34,36,37)
InChIKeyFOPUMYXTYSBGDX-UHFFFAOYSA-N
MW580.71 g/mol
LogP5.44
Rot. Bonds10

About N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide

N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide (PubChem CID 25073629) has the molecular formula C32H32N6O3S and a molecular weight of 580.71 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
PubChem CID25073629
Molecular FormulaC32H32N6O3S
Molecular Weight580.71 g/mol
Exact Mass580.23
IUPAC NameN-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C32H32N6O3S/c1-22-13-18-26(42(40,41)33-19-20-38(2)3)21-29(22)35-31(39)24-14-16-25(17-15-24)34-32-36-28-12-8-7-11-27(28)30(37-32)23-9-5-4-6-10-23/h4-18,21,33H,19-20H2,1-3H3,(H,35,39)(H,34,36,37)
InChIKeyFOPUMYXTYSBGDX-UHFFFAOYSA-N
XLogP5.44
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-cyclopropylethyl)-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 159012205
4-[[4-(2-bromophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
CID 25073319
4-[[4-(5-aminocyclopenta-1,3-dien-1-yl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
CID 25073626
N-[2-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;molecular hydrogen
CID 145476375
N-[3-[(2-hydroxyethylamino)methyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 69045980
4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
CID 25073323
azane;cyclobutane-1,1-dicarboxylate;N-[2-methyl-5-(methylaminomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide;platinum(2+)
CID 71506892
4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
CID 25071136
4-methyl-3-[[4-(4-phenylquinazolin-2-yl)benzoyl]amino]benzoic acid
CID 174610265
N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide
CID 25069523
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide (CID 25073629) is N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide is Cc1ccc(S(=O)(=O)NCCN(C)C)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide?
The InChIKey is FOPUMYXTYSBGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O3S/c1-22-13-18-26(42(40,41)33-19-20-38(2)3)21-29(22)35-31(39)24-14-16-25(17-15-24)34-32-36-28-12-8-7-11-27(28)30(37-32)23-9-5-4-6-10-23/h4-18,21,33H,19-20H2,1-3H3,(H,35,39)(H,34,36,37).
What are the key properties of N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide?
N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide has a molecular weight of 580.71 g/mol, XLogP of 5.44, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 25073629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).