N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide

C24H24N2O2S — CID 26338468

IUPACN-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)NC[C@H]2Cc3cccc(-c4ccc(C)cn4)c3O2)cc1
InChIInChI=1S/C24H24N2O2S/c1-16-6-11-22(25-14-16)21-5-3-4-18-13-19(28-24(18)21)15-26-23(27)12-17-7-9-20(29-2)10-8-17/h3-11,14,19H,12-13,15H2,1-2H3,(H,26,27)/t19-/m1/s1
InChIKeyOMYOTFHNBVVRMR-LJQANCHMSA-N
MW404.54 g/mol
LogP4.44
Rot. Bonds6

About N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide

N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 26338468) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide
PubChem CID26338468
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)NC[C@H]2Cc3cccc(-c4ccc(C)cn4)c3O2)cc1
InChIInChI=1S/C24H24N2O2S/c1-16-6-11-22(25-14-16)21-5-3-4-18-13-19(28-24(18)21)15-26-23(27)12-17-7-9-20(29-2)10-8-17/h3-11,14,19H,12-13,15H2,1-2H3,(H,26,27)/t19-/m1/s1
InChIKeyOMYOTFHNBVVRMR-LJQANCHMSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 125160333
N-[[7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 45237594
2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42171221
N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42430877
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
2-(3-chlorophenyl)-N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42317627
(3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide
CID 42538916
2,6-difluoro-N-[[(2R)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42317883
methyl 6-[2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate
CID 45175525
2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26276594
methyl 6-[2-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate
CID 45221657
2-(2-methyl-1,3-thiazol-4-yl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45166415

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide (CID 26338468) is N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)NC[C@H]2Cc3cccc(-c4ccc(C)cn4)c3O2)cc1.
What is the InChIKey of N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is OMYOTFHNBVVRMR-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-16-6-11-22(25-14-16)21-5-3-4-18-13-19(28-24(18)21)15-26-23(27)12-17-7-9-20(29-2)10-8-17/h3-11,14,19H,12-13,15H2,1-2H3,(H,26,27)/t19-/m1/s1.
What are the key properties of N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide?
N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 404.54 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 26338468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).