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
SMILESO=C(Nc1ccc(-c2ncnc3cc(-c4ccc(F)cc4)sc23)cc1)c1ccccc1
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
MW425.49 g/mol
LogP6.42
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 425.49 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 Weight425.49 g/mol
Exact Mass425.10
IUPAC NameN-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ncnc3cc(-c4ccc(F)cc4)sc23)cc1)c1ccccc1
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
XLogP6.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 31197030
N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide
CID 13481987
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
CID 110858718
1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea
CID 44528605
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735677
N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021111
N-benzyl-5-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 35424416
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669

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 O=C(Nc1ccc(-c2ncnc3cc(-c4ccc(F)cc4)sc23)cc1)c1ccccc1.
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 425.49 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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).