3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide

C23H19N3O2S — CID 52546822

IUPAC3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H19N3O2S/c27-22(14-15-26-16-24-19-11-5-4-10-18(19)23(26)28)25-20-12-6-7-13-21(20)29-17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,25,27)
InChIKeyWUGKSIJOIWSMCF-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.58
Rot. Bonds6

About 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide

3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 52546822) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID52546822
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H19N3O2S/c27-22(14-15-26-16-24-19-11-5-4-10-18(19)23(26)28)25-20-12-6-7-13-21(20)29-17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,25,27)
InChIKeyWUGKSIJOIWSMCF-UHFFFAOYSA-N
XLogP4.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 55482148
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
N-[2-(difluoromethoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147340
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573190
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 24655621
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 39724893
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986
3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 47083211
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 1250074

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide (CID 52546822) is 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is WUGKSIJOIWSMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c27-22(14-15-26-16-24-19-11-5-4-10-18(19)23(26)28)25-20-12-6-7-13-21(20)29-17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,25,27).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide?
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 401.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 52546822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).