N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C18H16F3N3O2S — CID 9101783

IUPACN-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(SCC(=O)N(Cc2ccco2)CC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C18H16F3N3O2S/c1-12-22-15-7-3-2-6-14(15)17(23-12)27-10-16(25)24(11-18(19,20)21)9-13-5-4-8-26-13/h2-8H,9-11H2,1H3
InChIKeyCODUSDFQBFEMOV-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.21
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 9101783) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID9101783
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(SCC(=O)N(Cc2ccco2)CC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C18H16F3N3O2S/c1-12-22-15-7-3-2-6-14(15)17(23-12)27-10-16(25)24(11-18(19,20)21)9-13-5-4-8-26-13/h2-8H,9-11H2,1H3
InChIKeyCODUSDFQBFEMOV-UHFFFAOYSA-N
XLogP4.21
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 9101783) is N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(SCC(=O)N(Cc2ccco2)CC(F)(F)F)c2ccccc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CODUSDFQBFEMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-12-22-15-7-3-2-6-14(15)17(23-12)27-10-16(25)24(11-18(19,20)21)9-13-5-4-8-26-13/h2-8H,9-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 395.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 9101783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).