N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide

C24H21N3O3S — CID 2545587

IUPACN-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3S/c1-2-25-22(28)16-31-24-26-21-11-7-6-10-20(21)23(29)27(24)17-12-14-19(15-13-17)30-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,28)
InChIKeyWOEHPTNPDWSLRQ-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.41
Rot. Bonds7

About N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide

N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 2545587) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID2545587
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3S/c1-2-25-22(28)16-31-24-26-21-11-7-6-10-20(21)23(29)27(24)17-12-14-19(15-13-17)30-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,28)
InChIKeyWOEHPTNPDWSLRQ-UHFFFAOYSA-N
XLogP4.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2109363
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2396679
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228
N-[(4-methoxyphenyl)methyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112779491
N-[[(2S)-oxolan-2-yl]methyl]-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
CID 41101843
2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2607673
N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696020
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079
N-carbamoyl-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7253259
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide (CID 2545587) is N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide is CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is WOEHPTNPDWSLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-2-25-22(28)16-31-24-26-21-11-7-6-10-20(21)23(29)27(24)17-12-14-19(15-13-17)30-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,28).
What are the key properties of N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide?
N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 431.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2545587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).