2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C18H15F3N4OS — CID 7835808

IUPAC2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)NCC(F)(F)F
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)11-22-15(26)10-27-17-24-14-9-5-4-8-13(14)16(25-17)23-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,26)(H,23,24,25)
InChIKeyBSFFXDBEOJHRHV-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.14
Rot. Bonds6

About 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 7835808) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID7835808
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)NCC(F)(F)F
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)11-22-15(26)10-27-17-24-14-9-5-4-8-13(14)16(25-17)23-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,26)(H,23,24,25)
InChIKeyBSFFXDBEOJHRHV-UHFFFAOYSA-N
XLogP4.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 7835808) is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)NCC(F)(F)F.
What is the InChIKey of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BSFFXDBEOJHRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c19-18(20,21)11-22-15(26)10-27-17-24-14-9-5-4-8-13(14)16(25-17)23-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 392.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 7835808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).