N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide

C23H19F2N3O3S — CID 55495726

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C23H19F2N3O3S/c1-27(12-15-7-9-17(10-8-15)31-23(24)25)20(29)13-28-14-26-18-11-19(32-21(18)22(28)30)16-5-3-2-4-6-16/h2-11,14,23H,12-13H2,1H3
InChIKeyNFBLJXAZWFMPPP-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.39
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 55495726) has the molecular formula C23H19F2N3O3S and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID55495726
Molecular FormulaC23H19F2N3O3S
Molecular Weight455.49 g/mol
Exact Mass455.11
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C23H19F2N3O3S/c1-27(12-15-7-9-17(10-8-15)31-23(24)25)20(29)13-28-14-26-18-11-19(32-21(18)22(28)30)16-5-3-2-4-6-16/h2-11,14,23H,12-13H2,1H3
InChIKeyNFBLJXAZWFMPPP-UHFFFAOYSA-N
XLogP4.39
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.39
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-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide (CID 55495726) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is NFBLJXAZWFMPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3S/c1-27(12-15-7-9-17(10-8-15)31-23(24)25)20(29)13-28-14-26-18-11-19(32-21(18)22(28)30)16-5-3-2-4-6-16/h2-11,14,23H,12-13H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 455.49 g/mol, XLogP of 4.39, 7 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-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 55495726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).