2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide

C15H14N4O4S2 — CID 166205260

IUPAC2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide
SMILESNS(=O)(=O)Cc1cccc(NC(=O)Cn2cnc3sccc3c2=O)c1
InChIInChI=1S/C15H14N4O4S2/c16-25(22,23)8-10-2-1-3-11(6-10)18-13(20)7-19-9-17-14-12(15(19)21)4-5-24-14/h1-6,9H,7-8H2,(H,18,20)(H2,16,22,23)
InChIKeyDMOBRVUVUQJJCK-UHFFFAOYSA-N
MW378.44 g/mol
LogP0.89
Rot. Bonds5

About 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide

2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide (PubChem CID 166205260) has the molecular formula C15H14N4O4S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide
PubChem CID166205260
Molecular FormulaC15H14N4O4S2
Molecular Weight378.44 g/mol
Exact Mass378.05
IUPAC Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide
SMILESNS(=O)(=O)Cc1cccc(NC(=O)Cn2cnc3sccc3c2=O)c1
InChIInChI=1S/C15H14N4O4S2/c16-25(22,23)8-10-2-1-3-11(6-10)18-13(20)7-19-9-17-14-12(15(19)21)4-5-24-14/h1-6,9H,7-8H2,(H,18,20)(H2,16,22,23)
InChIKeyDMOBRVUVUQJJCK-UHFFFAOYSA-N
XLogP0.89
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17425297
N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594263
(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 80749574
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9116676
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982
N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 8594423
4-methyl-N-[3-[[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]phenyl]benzamide
CID 55899658
N-(2,5-dichlorophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17444773
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide (CID 166205260) is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide is NS(=O)(=O)Cc1cccc(NC(=O)Cn2cnc3sccc3c2=O)c1.
What is the InChIKey of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide?
The InChIKey is DMOBRVUVUQJJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S2/c16-25(22,23)8-10-2-1-3-11(6-10)18-13(20)7-19-9-17-14-12(15(19)21)4-5-24-14/h1-6,9H,7-8H2,(H,18,20)(H2,16,22,23).
What are the key properties of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide?
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide is sourced from PubChem (CID 166205260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).