2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide

C26H25N3O2S — CID 55468227

IUPAC2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C26H25N3O2S/c1-3-28(23-16-10-7-11-19(23)2)24(30)18-32-26-27-22-15-9-8-14-21(22)25(31)29(26)17-20-12-5-4-6-13-20/h4-16H,3,17-18H2,1-2H3
InChIKeyVJAPUNWKBQCICS-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.90
Rot. Bonds7

About 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide

2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide (PubChem CID 55468227) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
PubChem CID55468227
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC Name2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C26H25N3O2S/c1-3-28(23-16-10-7-11-19(23)2)24(30)18-32-26-27-22-15-9-8-14-21(22)25(31)29(26)17-20-12-5-4-6-13-20/h4-16H,3,17-18H2,1-2H3
InChIKeyVJAPUNWKBQCICS-UHFFFAOYSA-N
XLogP4.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 8017652
N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 46860836
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 41166002
(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 2550961
2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
CID 42041421
2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 51366834
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2531105
N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2608290
N,N-diethyl-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 1155414
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 2608241
ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2618905

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide (CID 55468227) is 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide is CCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1C.
What is the InChIKey of 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide?
The InChIKey is VJAPUNWKBQCICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-3-28(23-16-10-7-11-19(23)2)24(30)18-32-26-27-22-15-9-8-14-21(22)25(31)29(26)17-20-12-5-4-6-13-20/h4-16H,3,17-18H2,1-2H3.
What are the key properties of 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide?
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide has a molecular weight of 443.57 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 55468227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).