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

C16H14N4O3S — CID 2816848

IUPACN-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCNC(=O)NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C16H14N4O3S/c1-17-16(23)19-13(21)8-20-9-18-14-11(15(20)22)7-12(24-14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H2,17,19,21,23)
InChIKeyBQMSXDWLBUSNSH-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.58
Rot. Bonds3

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

N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 2816848) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID2816848
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCNC(=O)NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C16H14N4O3S/c1-17-16(23)19-13(21)8-20-9-18-14-11(15(20)22)7-12(24-14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H2,17,19,21,23)
InChIKeyBQMSXDWLBUSNSH-UHFFFAOYSA-N
XLogP1.58
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(methylcarbamoyl)-2-(4-oxo-6-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

Related Compounds

5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide
CID 1453222
3-butyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1566536
2-Methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 730299
1-(3-((2-(Dimethylamino)ethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560914
N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
CID 733723
3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 731274
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-(2-phenylethyl)acetamide
CID 733158
N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
CID 1178172
N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide
CID 1453244
1-Benzyl-3-cyclohexyl-1-(5,6-dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylmethyl)-urea
CID 1453281
3-pentyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1566535

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 2816848) is N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is CNC(=O)NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is BQMSXDWLBUSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-17-16(23)19-13(21)8-20-9-18-14-11(15(20)22)7-12(24-14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H2,17,19,21,23).
What are the key properties of N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 342.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 2816848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).