2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide

C32H33N5O3S — CID 44568141

IUPAC2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)CC3c4ccccc4N=C(N(C)C)N3c3ccccc3)cc2)cc1
InChIInChI=1S/C32H33N5O3S/c1-23-13-19-27(20-14-23)41(39,40)35-25-17-15-24(16-18-25)22-33-31(38)21-30-28-11-7-8-12-29(28)34-32(36(2)3)37(30)26-9-5-4-6-10-26/h4-20,30,35H,21-22H2,1-3H3,(H,33,38)
InChIKeyBUARRUHMMCHOQJ-UHFFFAOYSA-N
MW567.72 g/mol
LogP5.61
Rot. Bonds8

About 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide

2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide (PubChem CID 44568141) has the molecular formula C32H33N5O3S and a molecular weight of 567.72 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
PubChem CID44568141
Molecular FormulaC32H33N5O3S
Molecular Weight567.72 g/mol
Exact Mass567.23
IUPAC Name2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)CC3c4ccccc4N=C(N(C)C)N3c3ccccc3)cc2)cc1
InChIInChI=1S/C32H33N5O3S/c1-23-13-19-27(20-14-23)41(39,40)35-25-17-15-24(16-18-25)22-33-31(38)21-30-28-11-7-8-12-29(28)34-32(36(2)3)37(30)26-9-5-4-6-10-26/h4-20,30,35H,21-22H2,1-3H3,(H,33,38)
InChIKeyBUARRUHMMCHOQJ-UHFFFAOYSA-N
XLogP5.61
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.72
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(2-(5-aminopentylamino)-3-(biphenyl-4-yl)-3,4-dihydroquinazolin-4-yl)-N-benzylacetamide
CID 135401968
2-(3-Phenyl-2-piperidin-1-yl-3,4-dihydro-quinazolin-4-yl)-N-[4-(toluene-4-sulfonylamino)-benzyl]-acetamide
CID 10031616
N-[4-(4-Fluoro-benzenesulfonylamino)-benzyl]-2-(3-phenyl-2-piperidin-1-yl-3,4-dihydro-quinazolin-4-yl)-acetamide
CID 10416322
2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 11964508
N-benzyl-2-(3-(biphenyl-4-yl)-2-(methyl(5-(pyrrolidin-1-yl)pentyl)amino)-3,4-dihydroquinazolin-4-yl)acetamide
CID 16048644
Kys-05090
CID 23661603
N-(4-aminobenzyl)-2-(2-(dimethylamino)-3-phenyl-3,4-dihydroquinazolin-4-yl)acetamide
CID 44567628
2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 44416787
2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]acetamide
CID 44568140
tert-butyl N-[5-[4-[2-(benzylamino)-2-oxoethyl]-2-(4-phenylanilino)-4H-quinazolin-3-yl]pentyl]carbamate
CID 25112468
2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]acetamide
CID 46224946
2-(3-(4-Cyclohexylphenyl)-2-((3-(3,3-dimethylureido)propyl)(methyl)amino)-3,4-dihydroquinazolin-4-yl)-N-(4-fluorobenzyl)acetamide
CID 92135994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide (CID 44568141) is 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)CC3c4ccccc4N=C(N(C)C)N3c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The InChIKey is BUARRUHMMCHOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3S/c1-23-13-19-27(20-14-23)41(39,40)35-25-17-15-24(16-18-25)22-33-31(38)21-30-28-11-7-8-12-29(28)34-32(36(2)3)37(30)26-9-5-4-6-10-26/h4-20,30,35H,21-22H2,1-3H3,(H,33,38).
What are the key properties of 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide has a molecular weight of 567.72 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 44568141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).