2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C17H18N4O2S — CID 17407158

IUPAC2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCNc1nc(SCC(=O)NCc2ccco2)nc2ccccc12
InChIInChI=1S/C17H18N4O2S/c1-2-18-16-13-7-3-4-8-14(13)20-17(21-16)24-11-15(22)19-10-12-6-5-9-23-12/h3-9H,2,10-11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyCJOAKCONPYGGIG-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.06
Rot. Bonds7

About 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 17407158) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID17407158
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCNc1nc(SCC(=O)NCc2ccco2)nc2ccccc12
InChIInChI=1S/C17H18N4O2S/c1-2-18-16-13-7-3-4-8-14(13)20-17(21-16)24-11-15(22)19-10-12-6-5-9-23-12/h3-9H,2,10-11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyCJOAKCONPYGGIG-UHFFFAOYSA-N
XLogP3.06
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17407156
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 27098324
N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 40766768
N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108470
N-(1,1-dioxothiolan-3-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 17415616
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55425463
N-(furan-2-ylmethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1140859
N-(furan-2-ylmethyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082694
N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27098326
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2276278

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 17407158) is 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is CCNc1nc(SCC(=O)NCc2ccco2)nc2ccccc12.
What is the InChIKey of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CJOAKCONPYGGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-18-16-13-7-3-4-8-14(13)20-17(21-16)24-11-15(22)19-10-12-6-5-9-23-12/h3-9H,2,10-11H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 17407158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).