6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide

C21H13N3O4S2 — CID 17477346

IUPAC6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nn3cnc4scc(-c5cccs5)c4c3=O)cc(=O)c2c1
InChIInChI=1S/C21H13N3O4S2/c1-11-4-5-15-12(7-11)14(25)8-16(28-15)19(26)23-24-10-22-20-18(21(24)27)13(9-30-20)17-3-2-6-29-17/h2-10H,1H3,(H,23,26)
InChIKeyNOLRROMFEZPEIE-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.99
Rot. Bonds3

About 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide

6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide (PubChem CID 17477346) has the molecular formula C21H13N3O4S2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide
PubChem CID17477346
Molecular FormulaC21H13N3O4S2
Molecular Weight435.49 g/mol
Exact Mass435.03
IUPAC Name6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nn3cnc4scc(-c5cccs5)c4c3=O)cc(=O)c2c1
InChIInChI=1S/C21H13N3O4S2/c1-11-4-5-15-12(7-11)14(25)8-16(28-15)19(26)23-24-10-22-20-18(21(24)27)13(9-30-20)17-3-2-6-29-17/h2-10H,1H3,(H,23,26)
InChIKeyNOLRROMFEZPEIE-UHFFFAOYSA-N
XLogP3.99
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide (CID 17477346) is 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide is Cc1ccc2oc(C(=O)Nn3cnc4scc(-c5cccs5)c4c3=O)cc(=O)c2c1.
What is the InChIKey of 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide?
The InChIKey is NOLRROMFEZPEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O4S2/c1-11-4-5-15-12(7-11)14(25)8-16(28-15)19(26)23-24-10-22-20-18(21(24)27)13(9-30-20)17-3-2-6-29-17/h2-10H,1H3,(H,23,26).
What are the key properties of 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide?
6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)chromene-2-carboxamide is sourced from PubChem (CID 17477346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).