ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate

C21H21N3O3S — CID 3192182

IUPACethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CSc1nc(CC)nc2ccccc12
InChIInChI=1S/C21H21N3O3S/c1-3-18-22-16-11-7-5-9-14(16)20(24-18)28-13-19(25)23-17-12-8-6-10-15(17)21(26)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyMCDYHTLUCJWYLX-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.10
Rot. Bonds7

About ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate

ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate (PubChem CID 3192182) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate
PubChem CID3192182
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Nameethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CSc1nc(CC)nc2ccccc12
InChIInChI=1S/C21H21N3O3S/c1-3-18-22-16-11-7-5-9-14(16)20(24-18)28-13-19(25)23-17-12-8-6-10-15(17)21(26)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyMCDYHTLUCJWYLX-UHFFFAOYSA-N
XLogP4.10
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 4803835
methyl 3-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate
CID 1435010
ethyl 2-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]amino]benzoate
CID 2063087
ethyl 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate
CID 23611290
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(2,4-dimethylphenyl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide
CID 43814932
ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135552142
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
ethyl 2-(propanoylamino)benzoate
CID 4190428
N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1435013
ethyl 2-[[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetyl]amino]benzoate
CID 651659
methyl 2-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate
CID 45498985

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate (CID 3192182) is ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CSc1nc(CC)nc2ccccc12.
What is the InChIKey of ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate?
The InChIKey is MCDYHTLUCJWYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-18-22-16-11-7-5-9-14(16)20(24-18)28-13-19(25)23-17-12-8-6-10-15(17)21(26)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate?
ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate has a molecular weight of 395.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]amino]benzoate is sourced from PubChem (CID 3192182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).