2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

C18H15Cl3N4OS — CID 27098324

IUPAC2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCNc1nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C18H15Cl3N4OS/c1-2-22-17-11-5-3-4-6-14(11)23-18(25-17)27-9-15(26)24-16-12(20)7-10(19)8-13(16)21/h3-8H,2,9H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyLEYVENNDCHSXBL-UHFFFAOYSA-N
MW441.77 g/mol
LogP5.75
Rot. Bonds6

About 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 27098324) has the molecular formula C18H15Cl3N4OS and a molecular weight of 441.77 g/mol. Its IUPAC name is 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID27098324
Molecular FormulaC18H15Cl3N4OS
Molecular Weight441.77 g/mol
Exact Mass440.00
IUPAC Name2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCNc1nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C18H15Cl3N4OS/c1-2-22-17-11-5-3-4-6-14(11)23-18(25-17)27-9-15(26)24-16-12(20)7-10(19)8-13(16)21/h3-8H,2,9H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyLEYVENNDCHSXBL-UHFFFAOYSA-N
XLogP5.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.77
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108318
3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18275768
N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 40766768
1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
CID 38991640
N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27098326
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 17407158
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17407156
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 6415284
N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
CID 30970669
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (CID 27098324) is 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is CCNc1nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is LEYVENNDCHSXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N4OS/c1-2-22-17-11-5-3-4-6-14(11)23-18(25-17)27-9-15(26)24-16-12(20)7-10(19)8-13(16)21/h3-8H,2,9H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 441.77 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 27098324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).