2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide

C26H25N3O3S — CID 2486709

IUPAC2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccccc1-n1c(SCC(=O)Nc2ccc(CC)cc2)nc2ccccc2c1=O
InChIInChI=1S/C26H25N3O3S/c1-3-18-13-15-19(16-14-18)27-24(30)17-33-26-28-21-10-6-5-9-20(21)25(31)29(26)22-11-7-8-12-23(22)32-4-2/h5-16H,3-4,17H2,1-2H3,(H,27,30)
InChIKeyVHYQGVCIGIJHSF-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.08
Rot. Bonds8

About 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide

2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide (PubChem CID 2486709) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
PubChem CID2486709
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccccc1-n1c(SCC(=O)Nc2ccc(CC)cc2)nc2ccccc2c1=O
InChIInChI=1S/C26H25N3O3S/c1-3-18-13-15-19(16-14-18)27-24(30)17-33-26-28-21-10-6-5-9-20(21)25(31)29(26)22-11-7-8-12-23(22)32-4-2/h5-16H,3-4,17H2,1-2H3,(H,27,30)
InChIKeyVHYQGVCIGIJHSF-UHFFFAOYSA-N
XLogP5.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 1155436
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 4268068
N-(4-bromophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4782004
N-(2-chloro-3-pyridinyl)-2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2567370
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-ethoxyphenyl)quinazolin-4-one
CID 2595210
2-[3-[2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 46370273
N-[4-(cyanomethyl)phenyl]-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46821334
4-[[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 9329493
N-(3,4-dimethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23964945
N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23798479
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27697648
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide (CID 2486709) is 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide is CCOc1ccccc1-n1c(SCC(=O)Nc2ccc(CC)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The InChIKey is VHYQGVCIGIJHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-3-18-13-15-19(16-14-18)27-24(30)17-33-26-28-21-10-6-5-9-20(21)25(31)29(26)22-11-7-8-12-23(22)32-4-2/h5-16H,3-4,17H2,1-2H3,(H,27,30).
What are the key properties of 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide has a molecular weight of 459.57 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 2486709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).