N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide

C24H21N3OS — CID 3571181

IUPACN-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)C(Sc2ncnc3ccccc23)c2ccccc2)c1
InChIInChI=1S/C24H21N3OS/c1-16-12-13-17(2)21(14-16)27-23(28)22(18-8-4-3-5-9-18)29-24-19-10-6-7-11-20(19)25-15-26-24/h3-15,22H,1-2H3,(H,27,28)
InChIKeyUXLNTDJBGIUAMJ-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.72
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide

N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 3571181) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide
PubChem CID3571181
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC NameN-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)C(Sc2ncnc3ccccc23)c2ccccc2)c1
InChIInChI=1S/C24H21N3OS/c1-16-12-13-17(2)21(14-16)27-23(28)22(18-8-4-3-5-9-18)29-24-19-10-6-7-11-20(19)25-15-26-24/h3-15,22H,1-2H3,(H,27,28)
InChIKeyUXLNTDJBGIUAMJ-UHFFFAOYSA-N
XLogP5.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide (CID 3571181) is N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide is Cc1ccc(C)c(NC(=O)C(Sc2ncnc3ccccc23)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is UXLNTDJBGIUAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-16-12-13-17(2)21(14-16)27-23(28)22(18-8-4-3-5-9-18)29-24-19-10-6-7-11-20(19)25-15-26-24/h3-15,22H,1-2H3,(H,27,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide?
N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 399.52 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 3571181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).