N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide

C25H19N3O4S — CID 135887584

About N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide

N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide (PubChem CID 135887584) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide.

Molecular Properties

• Compound Name: N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide
• PubChem CID: 135887584
• Molecular Formula: C25H19N3O4S
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.11
• IUPAC Name: N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide
• SMILES: Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)cccc2c1=O
• InChI: InChI=1S/C25H19N3O4S/c1-14-20(29)16-9-6-10-17(22(16)32-21(14)15-7-4-3-5-8-15)25(31)28(2)13-19-26-18-11-12-33-23(18)24(30)27-19/h3-12H,13H2,1-2H3,(H,26,27,30)
• InChIKey: VOKBRGMQBPDRJD-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 96.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide?

The IUPAC name of N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide (CID 135887584) is N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide.

What is the SMILES notation for N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide?

The canonical SMILES for N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)cccc2c1=O.

What is the InChIKey of N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide?

The InChIKey is VOKBRGMQBPDRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-14-20(29)16-9-6-10-17(22(16)32-21(14)15-7-4-3-5-8-15)25(31)28(2)13-19-26-18-11-12-33-23(18)24(30)27-19/h3-12H,13H2,1-2H3,(H,26,27,30).

What are the key properties of N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide?

N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 135887584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).