N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide

C20H14F2N4OS — CID 71451677

IUPACN-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide
SMILESNc1ncnc2scc(-c3ccc(NC(=O)Cc4cc(F)ccc4F)cc3)c12
InChIInChI=1S/C20H14F2N4OS/c21-13-3-6-16(22)12(7-13)8-17(27)26-14-4-1-11(2-5-14)15-9-28-20-18(15)19(23)24-10-25-20/h1-7,9-10H,8H2,(H,26,27)(H2,23,24,25)
InChIKeyOYPSWGQEIRWPRG-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.40
Rot. Bonds4

About N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide

N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide (PubChem CID 71451677) has the molecular formula C20H14F2N4OS and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide
PubChem CID71451677
Molecular FormulaC20H14F2N4OS
Molecular Weight396.42 g/mol
Exact Mass396.09
IUPAC NameN-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide
SMILESNc1ncnc2scc(-c3ccc(NC(=O)Cc4cc(F)ccc4F)cc3)c12
InChIInChI=1S/C20H14F2N4OS/c21-13-3-6-16(22)12(7-13)8-17(27)26-14-4-1-11(2-5-14)15-9-28-20-18(15)19(23)24-10-25-20/h1-7,9-10H,8H2,(H,26,27)(H2,23,24,25)
InChIKeyOYPSWGQEIRWPRG-UHFFFAOYSA-N
XLogP4.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide?
The IUPAC name of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide (CID 71451677) is N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide is Nc1ncnc2scc(-c3ccc(NC(=O)Cc4cc(F)ccc4F)cc3)c12.
What is the InChIKey of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide?
The InChIKey is OYPSWGQEIRWPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OS/c21-13-3-6-16(22)12(7-13)8-17(27)26-14-4-1-11(2-5-14)15-9-28-20-18(15)19(23)24-10-25-20/h1-7,9-10H,8H2,(H,26,27)(H2,23,24,25).
What are the key properties of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide?
N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide has a molecular weight of 396.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 71451677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).