N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide

C18H15ClF3N3O2S — CID 134410010

IUPACN-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCN(Cc1ccc(-c2ccc3ncnc(Cl)c3c2)o1)C(=O)C(F)(F)F
InChIInChI=1S/C18H15ClF3N3O2S/c1-28-7-6-25(17(26)18(20,21)22)9-12-3-5-15(27-12)11-2-4-14-13(8-11)16(19)24-10-23-14/h2-5,8,10H,6-7,9H2,1H3
InChIKeyCGPVASWHISNJOU-UHFFFAOYSA-N
MW429.85 g/mol
LogP4.80
Rot. Bonds6

About N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide

N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide (PubChem CID 134410010) has the molecular formula C18H15ClF3N3O2S and a molecular weight of 429.85 g/mol. Its IUPAC name is N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide
PubChem CID134410010
Molecular FormulaC18H15ClF3N3O2S
Molecular Weight429.85 g/mol
Exact Mass429.05
IUPAC NameN-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCN(Cc1ccc(-c2ccc3ncnc(Cl)c3c2)o1)C(=O)C(F)(F)F
InChIInChI=1S/C18H15ClF3N3O2S/c1-28-7-6-25(17(26)18(20,21)22)9-12-3-5-15(27-12)11-2-4-14-13(8-11)16(19)24-10-23-14/h2-5,8,10H,6-7,9H2,1H3
InChIKeyCGPVASWHISNJOU-UHFFFAOYSA-N
XLogP4.80
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.85
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide (CID 134410010) is N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide is CSCCN(Cc1ccc(-c2ccc3ncnc(Cl)c3c2)o1)C(=O)C(F)(F)F.
What is the InChIKey of N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide?
The InChIKey is CGPVASWHISNJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2S/c1-28-7-6-25(17(26)18(20,21)22)9-12-3-5-15(27-12)11-2-4-14-13(8-11)16(19)24-10-23-14/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide?
N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide has a molecular weight of 429.85 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide is sourced from PubChem (CID 134410010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).