2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C25H23FN4O2S — CID 30762194

IUPAC2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H23FN4O2S/c26-18-6-4-17(5-7-18)21-15-33-24-23(21)25(32)30(16-27-24)14-22(31)28-19-8-10-20(11-9-19)29-12-2-1-3-13-29/h4-11,15-16H,1-3,12-14H2,(H,28,31)
InChIKeyOPQCARANNBEERM-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.89
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 30762194) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID30762194
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H23FN4O2S/c26-18-6-4-17(5-7-18)21-15-33-24-23(21)25(32)30(16-27-24)14-22(31)28-19-8-10-20(11-9-19)29-12-2-1-3-13-29/h4-11,15-16H,1-3,12-14H2,(H,28,31)
InChIKeyOPQCARANNBEERM-UHFFFAOYSA-N
XLogP4.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40824039
N-(3-chloro-4-methylphenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 29110315
5-(4-fluorophenyl)-3-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 25353270
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 27928409
N-ethyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 18195144
N-[2,6-di(propan-2-yl)phenyl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 26675629
N-(2-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40913818
N-[(2S)-butan-2-yl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7629298
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylpropyl)acetamide
CID 7732058
N-(3-fluoro-4-methylphenyl)-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7629207
methyl 4-[[2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883642
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 1189430

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 30762194) is 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is OPQCARANNBEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c26-18-6-4-17(5-7-18)21-15-33-24-23(21)25(32)30(16-27-24)14-22(31)28-19-8-10-20(11-9-19)29-12-2-1-3-13-29/h4-11,15-16H,1-3,12-14H2,(H,28,31).
What are the key properties of 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 30762194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).