4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide

C16H13F2N3O3S — CID 8912423

IUPAC4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
SMILESCCc1cc2c(=O)n(NC(=O)c3ccc(OC(F)F)cc3)cnc2s1
InChIInChI=1S/C16H13F2N3O3S/c1-2-11-7-12-14(25-11)19-8-21(15(12)23)20-13(22)9-3-5-10(6-4-9)24-16(17)18/h3-8,16H,2H2,1H3,(H,20,22)
InChIKeyNXOUYRRFABXOLK-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.01
Rot. Bonds5

About 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide

4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide (PubChem CID 8912423) has the molecular formula C16H13F2N3O3S and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
PubChem CID8912423
Molecular FormulaC16H13F2N3O3S
Molecular Weight365.36 g/mol
Exact Mass365.06
IUPAC Name4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
SMILESCCc1cc2c(=O)n(NC(=O)c3ccc(OC(F)F)cc3)cnc2s1
InChIInChI=1S/C16H13F2N3O3S/c1-2-11-7-12-14(25-11)19-8-21(15(12)23)20-13(22)9-3-5-10(6-4-9)24-16(17)18/h3-8,16H,2H2,1H3,(H,20,22)
InChIKeyNXOUYRRFABXOLK-UHFFFAOYSA-N
XLogP3.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide (CID 8912423) is 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide is CCc1cc2c(=O)n(NC(=O)c3ccc(OC(F)F)cc3)cnc2s1.
What is the InChIKey of 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
The InChIKey is NXOUYRRFABXOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3S/c1-2-11-7-12-14(25-11)19-8-21(15(12)23)20-13(22)9-3-5-10(6-4-9)24-16(17)18/h3-8,16H,2H2,1H3,(H,20,22).
What are the key properties of 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide has a molecular weight of 365.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 8912423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).