N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

C20H21N3O2S — CID 23945130

IUPACN-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)CCSc2nc3ccccc3c(=O)n2C)c(C)c1
InChIInChI=1S/C20H21N3O2S/c1-13-8-9-16(14(2)12-13)21-18(24)10-11-26-20-22-17-7-5-4-6-15(17)19(25)23(20)3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyILISVUNSTJWFDL-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.67
Rot. Bonds5

About N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 23945130) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID23945130
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)CCSc2nc3ccccc3c(=O)n2C)c(C)c1
InChIInChI=1S/C20H21N3O2S/c1-13-8-9-16(14(2)12-13)21-18(24)10-11-26-20-22-17-7-5-4-6-15(17)19(25)23(20)3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyILISVUNSTJWFDL-UHFFFAOYSA-N
XLogP3.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 46925055
N-(4-bromophenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23745961
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 39417248
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 112785733
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 7582889
N-(1,3-benzodioxol-5-yl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23917161
3-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51481542
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 25043945
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23775081
3-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 24589494
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 3149105
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide
CID 41408572

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 23945130) is N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is Cc1ccc(NC(=O)CCSc2nc3ccccc3c(=O)n2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is ILISVUNSTJWFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-8-9-16(14(2)12-13)21-18(24)10-11-26-20-22-17-7-5-4-6-15(17)19(25)23(20)3/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 367.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 23945130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).