2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C21H17N3O2S — CID 20963084

IUPAC2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1cccs1
InChIInChI=1S/C21H17N3O2S/c25-19(22-13-16-9-6-12-27-16)14-24-18-11-5-4-10-17(18)20(23-21(24)26)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,22,25)
InChIKeyCFLPSZNRYKKMGM-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 20963084) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID20963084
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1cccs1
InChIInChI=1S/C21H17N3O2S/c25-19(22-13-16-9-6-12-27-16)14-24-18-11-5-4-10-17(18)20(23-21(24)26)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,22,25)
InChIKeyCFLPSZNRYKKMGM-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346770
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346777
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20877655
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
2-[2-(2-phenylethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031686
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721712
2-(2-oxo-4-phenylquinazolin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 46506811
3-hydroxyimino-1-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-1,4-benzodiazepin-2-one
CID 173346030
2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 804447
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 45493134

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 20963084) is 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NCc1cccs1.
What is the InChIKey of 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CFLPSZNRYKKMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-19(22-13-16-9-6-12-27-16)14-24-18-11-5-4-10-17(18)20(23-21(24)26)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,22,25).
What are the key properties of 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 375.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 20963084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).