(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide

C24H26N2O4S — CID 10993852

IUPAC(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-17(2)23(24(28)25-21(16-27)14-18-8-4-3-5-9-18)26-31(29,30)22-13-12-19-10-6-7-11-20(19)15-22/h3-13,15-17,21,23,26H,14H2,1-2H3,(H,25,28)/t21-,23-/m0/s1
InChIKeySJKUJZDIIXDACO-GMAHTHKFSA-N
MW438.55 g/mol
LogP3.07
Rot. Bonds9

About (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide

(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide (PubChem CID 10993852) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
PubChem CID10993852
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-17(2)23(24(28)25-21(16-27)14-18-8-4-3-5-9-18)26-31(29,30)22-13-12-19-10-6-7-11-20(19)15-22/h3-13,15-17,21,23,26H,14H2,1-2H3,(H,25,28)/t21-,23-/m0/s1
InChIKeySJKUJZDIIXDACO-GMAHTHKFSA-N
XLogP3.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide?
The IUPAC name of (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide (CID 10993852) is (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide?
The canonical SMILES for (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide is CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C=O)Cc1ccccc1.
What is the InChIKey of (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide?
The InChIKey is SJKUJZDIIXDACO-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17(2)23(24(28)25-21(16-27)14-18-8-4-3-5-9-18)26-31(29,30)22-13-12-19-10-6-7-11-20(19)15-22/h3-13,15-17,21,23,26H,14H2,1-2H3,(H,25,28)/t21-,23-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide?
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide has a molecular weight of 438.55 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide is sourced from PubChem (CID 10993852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).