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

C21H23N3O2S — CID 23772263

IUPAC2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1CC)C(=O)Nc1ccccc1C
InChIInChI=1S/C21H23N3O2S/c1-4-18(19(25)22-16-12-8-6-10-14(16)3)27-21-23-17-13-9-7-11-15(17)20(26)24(21)5-2/h6-13,18H,4-5H2,1-3H3,(H,22,25)
InChIKeyMUFPNCMXRNQOME-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.23
Rot. Bonds6

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

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide (PubChem CID 23772263) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
PubChem CID23772263
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1CC)C(=O)Nc1ccccc1C
InChIInChI=1S/C21H23N3O2S/c1-4-18(19(25)22-16-12-8-6-10-14(16)3)27-21-23-17-13-9-7-11-15(17)20(26)24(21)5-2/h6-13,18H,4-5H2,1-3H3,(H,22,25)
InChIKeyMUFPNCMXRNQOME-UHFFFAOYSA-N
XLogP4.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.23
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
3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanoylamino]benzoic acid
CID 23858595
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23858589
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
CID 51263679
2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23942562
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide
CID 23743129
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
N-cyclopentyl-4-[[2-[1-(2-ethylanilino)-1-oxobutan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide
CID 46370243
N-(2,6-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1143660
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-4-ylpropanamide
CID 23858762
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
N-(2,5-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1162800

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide?
The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide (CID 23772263) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide?
The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide is CCC(Sc1nc2ccccc2c(=O)n1CC)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide?
The InChIKey is MUFPNCMXRNQOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-18(19(25)22-16-12-8-6-10-14(16)3)27-21-23-17-13-9-7-11-15(17)20(26)24(21)5-2/h6-13,18H,4-5H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide?
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide has a molecular weight of 381.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 23772263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).