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

C16H15N3O3S — CID 135900592

IUPACN-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COc1ccccc1
InChIInChI=1S/C16H15N3O3S/c1-19(14(20)10-22-11-5-3-2-4-6-11)9-13-17-12-7-8-23-15(12)16(21)18-13/h2-8H,9-10H2,1H3,(H,17,18,21)
InChIKeyQDMBRCDZNAGKCQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.02
Rot. Bonds5

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

N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide (PubChem CID 135900592) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide
PubChem CID135900592
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COc1ccccc1
InChIInChI=1S/C16H15N3O3S/c1-19(14(20)10-22-11-5-3-2-4-6-11)9-13-17-12-7-8-23-15(12)16(21)18-13/h2-8H,9-10H2,1H3,(H,17,18,21)
InChIKeyQDMBRCDZNAGKCQ-UHFFFAOYSA-N
XLogP2.02
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide 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 N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide (CID 135900592) is N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COc1ccccc1.
What is the InChIKey of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide?
The InChIKey is QDMBRCDZNAGKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-19(14(20)10-22-11-5-3-2-4-6-11)9-13-17-12-7-8-23-15(12)16(21)18-13/h2-8H,9-10H2,1H3,(H,17,18,21).
What are the key properties of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide?
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide has a molecular weight of 329.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 135900592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).