N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide

C25H24N4O3S2 — CID 24654244

IUPACN-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H24N4O3S2/c1-17(22(30)26-18-7-9-19(10-8-18)28-12-14-32-15-13-28)34-25-27-23-21(11-16-33-23)24(31)29(25)20-5-3-2-4-6-20/h2-11,16-17H,12-15H2,1H3,(H,26,30)
InChIKeyFBGPMQIBDDRDDI-UHFFFAOYSA-N
MW492.63 g/mol
LogP4.40
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide

N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide (PubChem CID 24654244) has the molecular formula C25H24N4O3S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
PubChem CID24654244
Molecular FormulaC25H24N4O3S2
Molecular Weight492.63 g/mol
Exact Mass492.13
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H24N4O3S2/c1-17(22(30)26-18-7-9-19(10-8-18)28-12-14-32-15-13-28)34-25-27-23-21(11-16-33-23)24(31)29(25)20-5-3-2-4-6-20/h2-11,16-17H,12-15H2,1H3,(H,26,30)
InChIKeyFBGPMQIBDDRDDI-UHFFFAOYSA-N
XLogP4.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-morpholin-4-ylphenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
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(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532216
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 46567799
(2R)-N-(4-acetamidophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 41498459
(2R)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40785630
(2S)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 41001194
(2S)-2-(1-benzylimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 25339313
2-[4-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid
CID 21170654
(2R)-N-(4-morpholin-4-ylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2474766
(2S)-N-(4-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 7990405
N-(4-morpholin-4-ylphenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 17427271

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide (CID 24654244) is N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide is CC(Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is FBGPMQIBDDRDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S2/c1-17(22(30)26-18-7-9-19(10-8-18)28-12-14-32-15-13-28)34-25-27-23-21(11-16-33-23)24(31)29(25)20-5-3-2-4-6-20/h2-11,16-17H,12-15H2,1H3,(H,26,30).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide?
N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 492.63 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 24654244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).