N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide

C22H23N3O3S — CID 42963659

IUPACN-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
SMILESCCCn1c(SC(C)C(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H23N3O3S/c1-4-13-25-21(28)18-7-5-6-8-19(18)24-22(25)29-15(3)20(27)23-17-11-9-16(10-12-17)14(2)26/h5-12,15H,4,13H2,1-3H3,(H,23,27)
InChIKeyADDMJEVKAKZIHA-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.13
Rot. Bonds7

About N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide

N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide (PubChem CID 42963659) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
PubChem CID42963659
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
SMILESCCCn1c(SC(C)C(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H23N3O3S/c1-4-13-25-21(28)18-7-5-6-8-19(18)24-22(25)29-15(3)20(27)23-17-11-9-16(10-12-17)14(2)26/h5-12,15H,4,13H2,1-3H3,(H,23,27)
InChIKeyADDMJEVKAKZIHA-UHFFFAOYSA-N
XLogP4.13
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 8000199
(2S)-N-(2-cyanophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329785
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42989782
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-4-ylpropanamide
CID 23858762
(2R)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465770
N'-[(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoyl]benzohydrazide
CID 8940921
N-(4-ethylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 16510449
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 4814030
N-(4-acetylphenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55317414
N-(2,3-dichlorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16535583
N-(4-methylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 16510466

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide (CID 42963659) is N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide is CCCn1c(SC(C)C(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is ADDMJEVKAKZIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-4-13-25-21(28)18-7-5-6-8-19(18)24-22(25)29-15(3)20(27)23-17-11-9-16(10-12-17)14(2)26/h5-12,15H,4,13H2,1-3H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide?
N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 409.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 42963659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).