N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide

C26H25N3O3S — CID 4646087

IUPACN-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1
InChIInChI=1S/C26H25N3O3S/c1-2-32-21-14-12-20(13-15-21)27-24(30)18-33-26-28-23-11-7-6-10-22(23)25(31)29(26)17-16-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,27,30)
InChIKeyOTPVIDFLPUSJKE-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.77
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide

N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 4646087) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID4646087
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1
InChIInChI=1S/C26H25N3O3S/c1-2-32-21-14-12-20(13-15-21)27-24(30)18-33-26-28-23-11-7-6-10-22(23)25(31)29(26)17-16-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,27,30)
InChIKeyOTPVIDFLPUSJKE-UHFFFAOYSA-N
XLogP4.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N,N-diethyl-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 1155414
N-(2-ethoxyphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide (CID 4646087) is N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is OTPVIDFLPUSJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-2-32-21-14-12-20(13-15-21)27-24(30)18-33-26-28-23-11-7-6-10-22(23)25(31)29(26)17-16-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,27,30).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 459.57 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4646087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).