2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide

C20H20N4O3S — CID 23942562

IUPAC2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide
SMILESCCn1c(SC(C)C(=O)Nc2ccccc2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C20H20N4O3S/c1-3-24-19(27)14-9-5-7-11-16(14)23-20(24)28-12(2)18(26)22-15-10-6-4-8-13(15)17(21)25/h4-12H,3H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeySLUPKEROMNQRMK-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.63
Rot. Bonds6

About 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide

2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide (PubChem CID 23942562) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide
PubChem CID23942562
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide
SMILESCCn1c(SC(C)C(=O)Nc2ccccc2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C20H20N4O3S/c1-3-24-19(27)14-9-5-7-11-16(14)23-20(24)28-12(2)18(26)22-15-10-6-4-8-13(15)17(21)25/h4-12H,3H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeySLUPKEROMNQRMK-UHFFFAOYSA-N
XLogP2.63
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23914651
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
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 37148615
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
N-(2-acetylphenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 46624608
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 51234387
(2S)-N-(2-cyanophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329785
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
CID 23772263
N-carbamoyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3994935

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide?
The IUPAC name of 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide (CID 23942562) is 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide.
What is the SMILES notation for 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide?
The canonical SMILES for 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide is CCn1c(SC(C)C(=O)Nc2ccccc2C(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide?
The InChIKey is SLUPKEROMNQRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-3-24-19(27)14-9-5-7-11-16(14)23-20(24)28-12(2)18(26)22-15-10-6-4-8-13(15)17(21)25/h4-12H,3H2,1-2H3,(H2,21,25)(H,22,26).
What are the key properties of 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide?
2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide has a molecular weight of 396.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 23942562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).