(2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide

C20H20N4O4S — CID 135925798

About (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 135925798) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
• PubChem CID: 135925798
• Molecular Formula: C20H20N4O4S
• Molecular Weight: 412.47 g/mol
• Exact Mass: 412.12
• IUPAC Name: (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
• SMILES: CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
• InChI: InChI=1S/C20H20N4O4S/c1-24(11-16-22-14-7-9-29-17(14)19(26)23-16)20(27)12-4-2-5-13(10-12)21-18(25)15-6-3-8-28-15/h2,4-5,7,9-10,15H,3,6,8,11H2,1H3,(H,21,25)(H,22,23,26)/t15-/m1/s1
• InChIKey: NQBLCUQIGVIPJN-OAHLLOKOSA-N
• XLogP: 2.37
• TPSA: 104.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.47
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide?

The IUPAC name of (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 135925798) is (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide.

What is the SMILES notation for (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide?

The canonical SMILES for (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1.

What is the InChIKey of (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide?

The InChIKey is NQBLCUQIGVIPJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-24(11-16-22-14-7-9-29-17(14)19(26)23-16)20(27)12-4-2-5-13(10-12)21-18(25)15-6-3-8-28-15/h2,4-5,7,9-10,15H,3,6,8,11H2,1H3,(H,21,25)(H,22,23,26)/t15-/m1/s1.

What are the key properties of (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide?

(2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 135925798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).