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

C21H16ClN3O2S — CID 7708724

IUPAC(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)n1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H16ClN3O2S/c1-13(19(26)24-16-9-7-15(22)8-10-16)25-12-23-20-17(21(25)27)11-18(28-20)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,26)/t13-/m0/s1
InChIKeyFNWUSFCOWPTBJN-ZDUSSCGKSA-N
MW409.90 g/mol
LogP4.98
Rot. Bonds4

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

(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 7708724) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID7708724
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC Name(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)n1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H16ClN3O2S/c1-13(19(26)24-16-9-7-15(22)8-10-16)25-12-23-20-17(21(25)27)11-18(28-20)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,26)/t13-/m0/s1
InChIKeyFNWUSFCOWPTBJN-ZDUSSCGKSA-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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Related Compounds

(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730268
(2S)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 1412653
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 44640223
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44639176
N-(2-ethoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44638739
(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 7540813
2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
CID 4166482
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40776195
2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 4131312
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 1179841
(2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730262
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40840702

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (CID 7708724) is (2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1cnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is FNWUSFCOWPTBJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c1-13(19(26)24-16-9-7-15(22)8-10-16)25-12-23-20-17(21(25)27)11-18(28-20)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,26)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
(2S)-N-(4-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 (2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 7708724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).