(2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide

C26H30N2O3S — CID 70100440

IUPAC(2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide
SMILESCC[C@@H](CCS(=O)(=O)c1cccc(-c2ccccc2)c1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C26H30N2O3S/c1-2-23(28-26(29)25(27)18-20-10-5-3-6-11-20)16-17-32(30,31)24-15-9-14-22(19-24)21-12-7-4-8-13-21/h3-15,19,23,25H,2,16-18,27H2,1H3,(H,28,29)/t23-,25-/m0/s1
InChIKeyMSOBEQZRLCNCPZ-ZCYQVOJMSA-N
MW450.60 g/mol
LogP3.98
Rot. Bonds10

About (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide

(2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide (PubChem CID 70100440) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide
PubChem CID70100440
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name(2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide
SMILESCC[C@@H](CCS(=O)(=O)c1cccc(-c2ccccc2)c1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C26H30N2O3S/c1-2-23(28-26(29)25(27)18-20-10-5-3-6-11-20)16-17-32(30,31)24-15-9-14-22(19-24)21-12-7-4-8-13-21/h3-15,19,23,25H,2,16-18,27H2,1H3,(H,28,29)/t23-,25-/m0/s1
InChIKeyMSOBEQZRLCNCPZ-ZCYQVOJMSA-N
XLogP3.98
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869775
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
CID 107860995
3-amino-4-oxo-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 54308046
(2S)-2-amino-N-pent-1-yn-3-yl-3-phenylpropanamide
CID 106230408
2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethanesulfonic acid
CID 46208268
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444
N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide
CID 96571573
methyl (2S)-2-amino-3-[4-(3-methylsulfonylphenyl)phenyl]propanoate
CID 166449666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide (CID 70100440) is (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide is CC[C@@H](CCS(=O)(=O)c1cccc(-c2ccccc2)c1)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide?
The InChIKey is MSOBEQZRLCNCPZ-ZCYQVOJMSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-2-23(28-26(29)25(27)18-20-10-5-3-6-11-20)16-17-32(30,31)24-15-9-14-22(19-24)21-12-7-4-8-13-21/h3-15,19,23,25H,2,16-18,27H2,1H3,(H,28,29)/t23-,25-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide?
(2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide has a molecular weight of 450.60 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide is sourced from PubChem (CID 70100440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).