N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide

C24H21N3OS — CID 3135640

IUPACN-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C24H21N3OS/c1-16-12-13-21-19(14-16)24(27-23(26-21)18-9-4-3-5-10-18)29-15-22(28)25-20-11-7-6-8-17(20)2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyQEZUTQUGDZDOCE-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.64
Rot. Bonds5

About N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide

N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide (PubChem CID 3135640) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
PubChem CID3135640
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC NameN-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
SMILESCc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C24H21N3OS/c1-16-12-13-21-19(14-16)24(27-23(26-21)18-9-4-3-5-10-18)29-15-22(28)25-20-11-7-6-8-17(20)2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyQEZUTQUGDZDOCE-UHFFFAOYSA-N
XLogP5.64
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 ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 1164159
2-(6-methyl-2-phenylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 3135641
N-(2,3-dimethylphenyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166991
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 1155973
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1129852
N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136408
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166645
2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 1459615
N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136401
2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3226769
N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide
CID 1167934
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide (CID 3135640) is N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide is Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2c1.
What is the InChIKey of N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is QEZUTQUGDZDOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-16-12-13-21-19(14-16)24(27-23(26-21)18-9-4-3-5-10-18)29-15-22(28)25-20-11-7-6-8-17(20)2/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide?
N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 399.52 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3135640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).