2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide

C18H13N3O4S2 — CID 2097351

IUPAC2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c(O)c1
InChIInChI=1S/C18H13N3O4S2/c1-25-10-4-5-11(13(22)7-10)16(23)20-21-9-19-17-15(18(21)24)12(8-27-17)14-3-2-6-26-14/h2-9,22H,1H3,(H,20,23)
InChIKeyQSEKYYYNGDVOEX-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.28
Rot. Bonds4

About 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide

2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide (PubChem CID 2097351) has the molecular formula C18H13N3O4S2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide
PubChem CID2097351
Molecular FormulaC18H13N3O4S2
Molecular Weight399.45 g/mol
Exact Mass399.03
IUPAC Name2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c(O)c1
InChIInChI=1S/C18H13N3O4S2/c1-25-10-4-5-11(13(22)7-10)16(23)20-21-9-19-17-15(18(21)24)12(8-27-17)14-3-2-6-26-14/h2-9,22H,1H3,(H,20,23)
InChIKeyQSEKYYYNGDVOEX-UHFFFAOYSA-N
XLogP3.28
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-2-fluoro-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide
CID 26011621
6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide
CID 17477346
4-ethoxy-3-methoxy-N'-[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]benzohydrazide
CID 26784289
2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17469602
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
2-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)furan-3-carboxamide
CID 24513395
2-(methoxymethyl)-4-methyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-5-carboxamide
CID 71908421
1-cyclopropyl-5-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)pyrrolidine-3-carboxamide
CID 42887493
(5-bromo-2-methoxyphenyl)methyl 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 55391128
3-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39776036
4-methoxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 24538558
N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55450729

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide (CID 2097351) is 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide is COc1ccc(C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide?
The InChIKey is QSEKYYYNGDVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S2/c1-25-10-4-5-11(13(22)7-10)16(23)20-21-9-19-17-15(18(21)24)12(8-27-17)14-3-2-6-26-14/h2-9,22H,1H3,(H,20,23).
What are the key properties of 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide?
2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 2097351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).