(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide

C21H16ClN3O2S — CID 7730268

IUPAC(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H16ClN3O2S/c1-13(19(26)24-17-10-6-5-9-16(17)22)25-12-23-20-15(21(25)27)11-18(28-20)14-7-3-2-4-8-14/h2-13H,1H3,(H,24,26)/t13-/m1/s1
InChIKeyWDURXACDWJHCOO-CYBMUJFWSA-N
MW409.90 g/mol
LogP4.98
Rot. Bonds4

About (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide

(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 7730268) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID7730268
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC Name(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H16ClN3O2S/c1-13(19(26)24-17-10-6-5-9-16(17)22)25-12-23-20-15(21(25)27)11-18(28-20)14-7-3-2-4-8-14/h2-13H,1H3,(H,24,26)/t13-/m1/s1
InChIKeyWDURXACDWJHCOO-CYBMUJFWSA-N
XLogP4.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (CID 7730268) is (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is C[C@H](C(=O)Nc1ccccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is WDURXACDWJHCOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c1-13(19(26)24-17-10-6-5-9-16(17)22)25-12-23-20-15(21(25)27)11-18(28-20)14-7-3-2-4-8-14/h2-13H,1H3,(H,24,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 409.90 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 7730268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).