N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide

C24H21N3O2S — CID 4785568

IUPACN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc1C
InChIInChI=1S/C24H21N3O2S/c1-16-7-10-20(13-17(16)2)30-19-11-8-18(9-12-19)26-23(28)14-27-15-25-22-6-4-3-5-21(22)24(27)29/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyILHPVLZOARKZMF-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.80
Rot. Bonds5

About N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 4785568) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID4785568
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc1C
InChIInChI=1S/C24H21N3O2S/c1-16-7-10-20(13-17(16)2)30-19-11-8-18(9-12-19)26-23(28)14-27-15-25-22-6-4-3-5-21(22)24(27)29/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyILHPVLZOARKZMF-UHFFFAOYSA-N
XLogP4.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16583700
2-methyl-N-[4-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 55708476
N-[4-(3-methylphenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7758722
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938230

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 4785568) is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1ccc(Sc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ILHPVLZOARKZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-16-7-10-20(13-17(16)2)30-19-11-8-18(9-12-19)26-23(28)14-27-15-25-22-6-4-3-5-21(22)24(27)29/h3-13,15H,14H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 4785568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).