(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide

C26H24N2OS — CID 9051044

IUPAC(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESC[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N2OS/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-/m1/s1
InChIKeyAJWMEYQUYWNYDP-KBMIEXCESA-N
MW412.56 g/mol
LogP6.12
Rot. Bonds7

About (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide

(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide (PubChem CID 9051044) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
PubChem CID9051044
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC Name(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESC[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N2OS/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-/m1/s1
InChIKeyAJWMEYQUYWNYDP-KBMIEXCESA-N
XLogP6.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 8755326
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307
(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051206
4-[[(2S)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanoyl]amino]benzamide
CID 9051191
(2R)-N-(2-cyanophenyl)-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8998137
(2S)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8866707
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9030001
(2R)-N-(4-acetamidophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051953
(2S)-N-(4-acetamidophenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051950
(2R)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9052433
(2S)-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8769313

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide (CID 9051044) is (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide is C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The InChIKey is AJWMEYQUYWNYDP-KBMIEXCESA-N. The full InChI is InChI=1S/C26H24N2OS/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-/m1/s1.
What are the key properties of (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide has a molecular weight of 412.56 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 9051044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).