N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C17H15F2N3O3S — CID 32877486

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C17H15F2N3O3S/c1-21(8-11-2-4-12(5-3-11)25-17(18)19)14(23)9-22-10-20-15-13(16(22)24)6-7-26-15/h2-7,10,17H,8-9H2,1H3
InChIKeyWFEVJHHZINVSGW-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.72
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 32877486) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID32877486
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C17H15F2N3O3S/c1-21(8-11-2-4-12(5-3-11)25-17(18)19)14(23)9-22-10-20-15-13(16(22)24)6-7-26-15/h2-7,10,17H,8-9H2,1H3
InChIKeyWFEVJHHZINVSGW-UHFFFAOYSA-N
XLogP2.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 32877486) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2sccc2c1=O.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is WFEVJHHZINVSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-21(8-11-2-4-12(5-3-11)25-17(18)19)14(23)9-22-10-20-15-13(16(22)24)6-7-26-15/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 379.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 32877486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).