N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C18H19N3O2S — CID 733957

IUPACN,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C18H19N3O2S/c1-3-20(4-2)15(22)10-21-12-19-17-16(18(21)23)14(11-24-17)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyGDDCWBZEFAMAGJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.99
Rot. Bonds5

About N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 733957) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID733957
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C18H19N3O2S/c1-3-20(4-2)15(22)10-21-12-19-17-16(18(21)23)14(11-24-17)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyGDDCWBZEFAMAGJ-UHFFFAOYSA-N
XLogP2.99
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide 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,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 733957) is N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is CCN(CC)C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is GDDCWBZEFAMAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-20(4-2)15(22)10-21-12-19-17-16(18(21)23)14(11-24-17)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 733957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).