N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide

C25H22N4O4S — CID 5061258

IUPACN-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H22N4O4S/c1-2-33-19-14-12-18(13-15-19)26-22(30)16-34-25-27-21-11-7-6-10-20(21)24(32)29(25)28-23(31)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,30)(H,28,31)
InChIKeyAUQUNDPXSIXRPJ-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.91
Rot. Bonds8

About N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide

N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide (PubChem CID 5061258) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide
PubChem CID5061258
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC NameN-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H22N4O4S/c1-2-33-19-14-12-18(13-15-19)26-22(30)16-34-25-27-21-11-7-6-10-20(21)24(32)29(25)28-23(31)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,30)(H,28,31)
InChIKeyAUQUNDPXSIXRPJ-UHFFFAOYSA-N
XLogP3.91
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7428484
N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 4646087
N-(4-ethoxyphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 980221
N-(4-ethoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23861407
4-methoxy-N-[4-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylquinazolin-3-yl]benzamide
CID 2202378
N-(3,5-difluorophenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 24570323
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
ethyl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]sulfamoyl]benzoate
CID 3652710
N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 2202336
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 3460987
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 1273470
4-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(oxolan-2-ylmethyl)butanamide
CID 22589626

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide (CID 5061258) is N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide is CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is AUQUNDPXSIXRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-2-33-19-14-12-18(13-15-19)26-22(30)16-34-25-27-21-11-7-6-10-20(21)24(32)29(25)28-23(31)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,30)(H,28,31).
What are the key properties of N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide?
N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 474.54 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 5061258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).