N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C18H18FN3O3S — CID 17410333

IUPACN-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c19-13-3-5-14(6-4-13)25-9-2-1-8-20-16(23)11-22-12-21-17-15(18(22)24)7-10-26-17/h3-7,10,12H,1-2,8-9,11H2,(H,20,23)
InChIKeyYRYINYZRPBASJL-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.57
Rot. Bonds8

About N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 17410333) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID17410333
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c19-13-3-5-14(6-4-13)25-9-2-1-8-20-16(23)11-22-12-21-17-15(18(22)24)7-10-26-17/h3-7,10,12H,1-2,8-9,11H2,(H,20,23)
InChIKeyYRYINYZRPBASJL-UHFFFAOYSA-N
XLogP2.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 42572072
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17468203
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
ethyl 4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate
CID 18195399
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
N-[(2-methylpropan-2-yl)oxy]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 82726092
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 9001845
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
N-[4-(4-chlorophenoxy)butyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18137954
6-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 119220091
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51286491

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 17410333) is N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is YRYINYZRPBASJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c19-13-3-5-14(6-4-13)25-9-2-1-8-20-16(23)11-22-12-21-17-15(18(22)24)7-10-26-17/h3-7,10,12H,1-2,8-9,11H2,(H,20,23).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 17410333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).