N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide

C22H19NO2S — CID 51644623

IUPACN-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C22H19NO2S/c24-21(11-10-16-12-13-26-15-16)23-22(17-6-2-1-3-7-17)20-14-18-8-4-5-9-19(18)25-20/h1-9,12-15,22H,10-11H2,(H,23,24)/t22-/m1/s1
InChIKeyWPUWVDWDWLNVSR-JOCHJYFZSA-N
MW361.47 g/mol
LogP5.33
Rot. Bonds6

About N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide

N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide (PubChem CID 51644623) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide
PubChem CID51644623
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC NameN-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C22H19NO2S/c24-21(11-10-16-12-13-26-15-16)23-22(17-6-2-1-3-7-17)20-14-18-8-4-5-9-19(18)25-20/h1-9,12-15,22H,10-11H2,(H,23,24)/t22-/m1/s1
InChIKeyWPUWVDWDWLNVSR-JOCHJYFZSA-N
XLogP5.33
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 51727752
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
CID 46650550
N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24556812
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135901571
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 24556797
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118

Frequently Asked Questions

What is the IUPAC name of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide (CID 51644623) is N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)N[C@H](c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide?
The InChIKey is WPUWVDWDWLNVSR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19NO2S/c24-21(11-10-16-12-13-26-15-16)23-22(17-6-2-1-3-7-17)20-14-18-8-4-5-9-19(18)25-20/h1-9,12-15,22H,10-11H2,(H,23,24)/t22-/m1/s1.
What are the key properties of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide?
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide has a molecular weight of 361.47 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 51644623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).