(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide

C19H13F2N3O2S — CID 9385088

IUPAC(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
SMILESC[C@@H](Sc1ncnc2c1oc1ccccc12)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H13F2N3O2S/c1-10(18(25)24-14-7-6-11(20)8-13(14)21)27-19-17-16(22-9-23-19)12-4-2-3-5-15(12)26-17/h2-10H,1H3,(H,24,25)/t10-/m1/s1
InChIKeyIBYAIDGZLPXHCT-SNVBAGLBSA-N
MW385.40 g/mol
LogP4.77
Rot. Bonds4

About (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide

(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide (PubChem CID 9385088) has the molecular formula C19H13F2N3O2S and a molecular weight of 385.40 g/mol. Its IUPAC name is (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
PubChem CID9385088
Molecular FormulaC19H13F2N3O2S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
SMILESC[C@@H](Sc1ncnc2c1oc1ccccc12)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H13F2N3O2S/c1-10(18(25)24-14-7-6-11(20)8-13(14)21)27-19-17-16(22-9-23-19)12-4-2-3-5-15(12)26-17/h2-10H,1H3,(H,24,25)/t10-/m1/s1
InChIKeyIBYAIDGZLPXHCT-SNVBAGLBSA-N
XLogP4.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9385083
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9385128
2-[[(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 9385121
N-(2,4-difluorophenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanamide
CID 24601301
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 24579343
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
N-(2,4-difluorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 84865788
(2S)-2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 51465841
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
CID 51236742
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 8985865

Frequently Asked Questions

What is the IUPAC name of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide (CID 9385088) is (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide is C[C@@H](Sc1ncnc2c1oc1ccccc12)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is IBYAIDGZLPXHCT-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H13F2N3O2S/c1-10(18(25)24-14-7-6-11(20)8-13(14)21)27-19-17-16(22-9-23-19)12-4-2-3-5-15(12)26-17/h2-10H,1H3,(H,24,25)/t10-/m1/s1.
What are the key properties of (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 385.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 9385088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).