(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide

C26H24N2O2 — CID 8755326

IUPAC(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide
SMILESC[C@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N2O2/c1-19(27-25(24-17-10-18-30-24)21-13-6-3-7-14-21)26(29)28-23-16-9-8-15-22(23)20-11-4-2-5-12-20/h2-19,25,27H,1H3,(H,28,29)/t19-,25-/m0/s1
InChIKeyWKNCDSRXKXENHP-DFBJGRDBSA-N
MW396.49 g/mol
LogP5.65
Rot. Bonds7

About (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide

(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide (PubChem CID 8755326) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide
PubChem CID8755326
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide
SMILESC[C@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N2O2/c1-19(27-25(24-17-10-18-30-24)21-13-6-3-7-14-21)26(29)28-23-16-9-8-15-22(23)20-11-4-2-5-12-20/h2-19,25,27H,1H3,(H,28,29)/t19-,25-/m0/s1
InChIKeyWKNCDSRXKXENHP-DFBJGRDBSA-N
XLogP5.65
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051044
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)acetamide
CID 8755106
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755176
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490
(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755318
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755316
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8755382
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8755105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide (CID 8755326) is (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide is C[C@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide?
The InChIKey is WKNCDSRXKXENHP-DFBJGRDBSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-19(27-25(24-17-10-18-30-24)21-13-6-3-7-14-21)26(29)28-23-16-9-8-15-22(23)20-11-4-2-5-12-20/h2-19,25,27H,1H3,(H,28,29)/t19-,25-/m0/s1.
What are the key properties of (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide?
(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 8755326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).