2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

C16H14FN3O3S — CID 135857869

IUPAC2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COc1cccc(F)c1
InChIInChI=1S/C16H14FN3O3S/c1-20(14(21)9-23-11-4-2-3-10(17)7-11)8-13-18-12-5-6-24-15(12)16(22)19-13/h2-7H,8-9H2,1H3,(H,18,19,22)
InChIKeyXFYMTIVKRWFLHM-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.16
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 135857869) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID135857869
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COc1cccc(F)c1
InChIInChI=1S/C16H14FN3O3S/c1-20(14(21)9-23-11-4-2-3-10(17)7-11)8-13-18-12-5-6-24-15(12)16(22)19-13/h2-7H,8-9H2,1H3,(H,18,19,22)
InChIKeyXFYMTIVKRWFLHM-UHFFFAOYSA-N
XLogP2.16
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (CID 135857869) is 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is XFYMTIVKRWFLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-20(14(21)9-23-11-4-2-3-10(17)7-11)8-13-18-12-5-6-24-15(12)16(22)19-13/h2-7H,8-9H2,1H3,(H,18,19,22).
What are the key properties of 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 135857869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).