2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide

C20H21N3O2S — CID 23743129

IUPAC2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-17(18(24)21-14-11-9-13(2)10-12-14)26-20-22-16-8-6-5-7-15(16)19(25)23(20)3/h5-12,17H,4H2,1-3H3,(H,21,24)
InChIKeyZHBYLRUKEFGELH-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.75
Rot. Bonds5

About 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide (PubChem CID 23743129) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide
PubChem CID23743129
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-17(18(24)21-14-11-9-13(2)10-12-14)26-20-22-16-8-6-5-7-15(16)19(25)23(20)3/h5-12,17H,4H2,1-3H3,(H,21,24)
InChIKeyZHBYLRUKEFGELH-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
CID 23772262
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 23914436
(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 8000199
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 2529276
ethyl 4-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanoylamino]benzoate
CID 23772266
N-(4-fluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18078083
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
CID 23772263
N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23801475
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylbutanamide
CID 23998107
3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanoylamino]benzoic acid
CID 23858595
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532216
3-[2-[1-(4-methylanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoic acid
CID 4189651

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide?
The IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide (CID 23743129) is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide?
The canonical SMILES for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide is CCC(Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide?
The InChIKey is ZHBYLRUKEFGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-17(18(24)21-14-11-9-13(2)10-12-14)26-20-22-16-8-6-5-7-15(16)19(25)23(20)3/h5-12,17H,4H2,1-3H3,(H,21,24).
What are the key properties of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide?
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide has a molecular weight of 367.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 23743129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).