2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide

C19H17F2N3O3S2 — CID 168951016

IUPAC2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCOc1ccc2nc(C)nc(SCC(=O)c3ccc(CNC(=O)C(F)F)s3)c2c1
InChIInChI=1S/C19H17F2N3O3S2/c1-10-23-14-5-3-11(27-2)7-13(14)19(24-10)28-9-15(25)16-6-4-12(29-16)8-22-18(26)17(20)21/h3-7,17H,8-9H2,1-2H3,(H,22,26)
InChIKeyZEDVTSYYXXSAAI-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.86
Rot. Bonds8

About 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide

2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 168951016) has the molecular formula C19H17F2N3O3S2 and a molecular weight of 437.49 g/mol. Its IUPAC name is 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
PubChem CID168951016
Molecular FormulaC19H17F2N3O3S2
Molecular Weight437.49 g/mol
Exact Mass437.07
IUPAC Name2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCOc1ccc2nc(C)nc(SCC(=O)c3ccc(CNC(=O)C(F)F)s3)c2c1
InChIInChI=1S/C19H17F2N3O3S2/c1-10-23-14-5-3-11(27-2)7-13(14)19(24-10)28-9-15(25)16-6-4-12(29-16)8-22-18(26)17(20)21/h3-7,17H,8-9H2,1-2H3,(H,22,26)
InChIKeyZEDVTSYYXXSAAI-UHFFFAOYSA-N
XLogP3.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]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 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide (CID 168951016) is 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide is COc1ccc2nc(C)nc(SCC(=O)c3ccc(CNC(=O)C(F)F)s3)c2c1.
What is the InChIKey of 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is ZEDVTSYYXXSAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S2/c1-10-23-14-5-3-11(27-2)7-13(14)19(24-10)28-9-15(25)16-6-4-12(29-16)8-22-18(26)17(20)21/h3-7,17H,8-9H2,1-2H3,(H,22,26).
What are the key properties of 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 437.49 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 168951016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).