3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

C23H24N2O2S — CID 51593466

IUPAC3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESC[C@@H]1Cc2cc(CCC(=O)NCCc3nc(-c4ccccc4)cs3)ccc2O1
InChIInChI=1S/C23H24N2O2S/c1-16-13-19-14-17(7-9-21(19)27-16)8-10-22(26)24-12-11-23-25-20(15-28-23)18-5-3-2-4-6-18/h2-7,9,14-16H,8,10-13H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyNBNOPDDSWAAMOK-MRXNPFEDSA-N
MW392.52 g/mol
LogP4.43
Rot. Bonds7

About 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 51593466) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID51593466
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESC[C@@H]1Cc2cc(CCC(=O)NCCc3nc(-c4ccccc4)cs3)ccc2O1
InChIInChI=1S/C23H24N2O2S/c1-16-13-19-14-17(7-9-21(19)27-16)8-10-22(26)24-12-11-23-25-20(15-28-23)18-5-3-2-4-6-18/h2-7,9,14-16H,8,10-13H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyNBNOPDDSWAAMOK-MRXNPFEDSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 51593466) is 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is C[C@@H]1Cc2cc(CCC(=O)NCCc3nc(-c4ccccc4)cs3)ccc2O1.
What is the InChIKey of 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is NBNOPDDSWAAMOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-16-13-19-14-17(7-9-21(19)27-16)8-10-22(26)24-12-11-23-25-20(15-28-23)18-5-3-2-4-6-18/h2-7,9,14-16H,8,10-13H2,1H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 392.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 51593466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).