3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide

C20H21N5O2S — CID 18275768

IUPAC3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
SMILESCCNc1nc(SCC(=O)Nc2cccc(C(=O)NC)c2)nc2ccccc12
InChIInChI=1S/C20H21N5O2S/c1-3-22-18-15-9-4-5-10-16(15)24-20(25-18)28-12-17(26)23-14-8-6-7-13(11-14)19(27)21-2/h4-11H,3,12H2,1-2H3,(H,21,27)(H,23,26)(H,22,24,25)
InChIKeyAMWYBMZPSLJYSK-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.15
Rot. Bonds7

About 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide

3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide (PubChem CID 18275768) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
PubChem CID18275768
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
SMILESCCNc1nc(SCC(=O)Nc2cccc(C(=O)NC)c2)nc2ccccc12
InChIInChI=1S/C20H21N5O2S/c1-3-22-18-15-9-4-5-10-16(15)24-20(25-18)28-12-17(26)23-14-8-6-7-13(11-14)19(27)21-2/h4-11H,3,12H2,1-2H3,(H,21,27)(H,23,26)(H,22,24,25)
InChIKeyAMWYBMZPSLJYSK-UHFFFAOYSA-N
XLogP3.15
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 27098324
N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27098326
N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 40766768
N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide
CID 25408330
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108318
N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 27971771
3-[[2-[4-(2-bicyclo[2.2.1]heptanylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzoic acid
CID 44821164
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 18202310
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 17407158
ethyl 4-[[2-[4-(benzylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 6616406
1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
CID 38991640
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17407156

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide (CID 18275768) is 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide is CCNc1nc(SCC(=O)Nc2cccc(C(=O)NC)c2)nc2ccccc12.
What is the InChIKey of 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide?
The InChIKey is AMWYBMZPSLJYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-3-22-18-15-9-4-5-10-16(15)24-20(25-18)28-12-17(26)23-14-8-6-7-13(11-14)19(27)21-2/h4-11H,3,12H2,1-2H3,(H,21,27)(H,23,26)(H,22,24,25).
What are the key properties of 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide?
3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide has a molecular weight of 395.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 18275768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).