N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C18H17N3O4S — CID 33158076

IUPACN-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CCn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O4S/c1-26(24,25)14-6-4-5-13(11-14)20-17(22)9-10-21-12-19-16-8-3-2-7-15(16)18(21)23/h2-8,11-12H,9-10H2,1H3,(H,20,22)
InChIKeyBYMFAMGRLHYUOZ-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.83
Rot. Bonds5

About N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 33158076) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID33158076
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CCn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O4S/c1-26(24,25)14-6-4-5-13(11-14)20-17(22)9-10-21-12-19-16-8-3-2-7-15(16)18(21)23/h2-8,11-12H,9-10H2,1H3,(H,20,22)
InChIKeyBYMFAMGRLHYUOZ-UHFFFAOYSA-N
XLogP1.83
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
CID 55705897
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 51949326
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 40836426
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 33158076) is N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is CS(=O)(=O)c1cccc(NC(=O)CCn2cnc3ccccc3c2=O)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is BYMFAMGRLHYUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-26(24,25)14-6-4-5-13(11-14)20-17(22)9-10-21-12-19-16-8-3-2-7-15(16)18(21)23/h2-8,11-12H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 371.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 33158076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).