N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide

C25H16FN3OS — CID 73388461

IUPACN-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide
SMILESC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC=NC4=C3SC(=C4)C5=CC=C(C=C5)F
InChIInChI=1S/C25H16FN3OS/c26-19-10-6-16(7-11-19)22-14-21-24(31-22)23(28-15-27-21)17-8-12-20(13-9-17)29-25(30)18-4-2-1-3-5-18/h1-15H,(H,29,30)
InChIKeyDZZJOPQTAMETOO-UHFFFAOYSA-N
MW425.50 g/mol
LogP5.60
Rot. Bonds4

About N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide

N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide (PubChem CID 73388461) has the molecular formula C25H16FN3OS and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide
PubChem CID73388461
Molecular FormulaC25H16FN3OS
Molecular Weight425.50 g/mol
Exact Mass425.10
IUPAC NameN-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide
SMILESC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC=NC4=C3SC(=C4)C5=CC=C(C=C5)F
InChIInChI=1S/C25H16FN3OS/c26-19-10-6-16(7-11-19)22-14-21-24(31-22)23(28-15-27-21)17-8-12-20(13-9-17)29-25(30)18-4-2-1-3-5-18/h1-15H,(H,29,30)
InChIKeyDZZJOPQTAMETOO-UHFFFAOYSA-N
XLogP5.60
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity600

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide?
The IUPAC name of N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide (CID 73388461) is N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide is C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC=NC4=C3SC(=C4)C5=CC=C(C=C5)F.
What is the InChIKey of N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide?
The InChIKey is DZZJOPQTAMETOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN3OS/c26-19-10-6-16(7-11-19)22-14-21-24(31-22)23(28-15-27-21)17-8-12-20(13-9-17)29-25(30)18-4-2-1-3-5-18/h1-15H,(H,29,30).
What are the key properties of N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide?
N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide has a molecular weight of 425.50 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 73388461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).