N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide

C26H28N2O4S — CID 87594477

IUPACN'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide
SMILESO=C[C@H](Cc1ccccc1)N(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)C1CCCCC1
InChIInChI=1S/C26H28N2O4S/c29-19-24(17-20-9-3-1-4-10-20)28(26(30)22-12-5-2-6-13-22)27-33(31,32)25-16-15-21-11-7-8-14-23(21)18-25/h1,3-4,7-11,14-16,18-19,22,24,27H,2,5-6,12-13,17H2/t24-/m0/s1
InChIKeyTXQDWADKNHNNSL-DEOSSOPVSA-N
MW464.59 g/mol
LogP4.25
Rot. Bonds8

About N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide

N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide (PubChem CID 87594477) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide
PubChem CID87594477
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC NameN'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide
SMILESO=C[C@H](Cc1ccccc1)N(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)C1CCCCC1
InChIInChI=1S/C26H28N2O4S/c29-19-24(17-20-9-3-1-4-10-20)28(26(30)22-12-5-2-6-13-22)27-33(31,32)25-16-15-21-11-7-8-14-23(21)18-25/h1,3-4,7-11,14-16,18-19,22,24,27H,2,5-6,12-13,17H2/t24-/m0/s1
InChIKeyTXQDWADKNHNNSL-DEOSSOPVSA-N
XLogP4.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide?
The IUPAC name of N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide (CID 87594477) is N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide is O=C[C@H](Cc1ccccc1)N(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)C1CCCCC1.
What is the InChIKey of N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide?
The InChIKey is TXQDWADKNHNNSL-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28N2O4S/c29-19-24(17-20-9-3-1-4-10-20)28(26(30)22-12-5-2-6-13-22)27-33(31,32)25-16-15-21-11-7-8-14-23(21)18-25/h1,3-4,7-11,14-16,18-19,22,24,27H,2,5-6,12-13,17H2/t24-/m0/s1.
What are the key properties of N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide?
N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide has a molecular weight of 464.59 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide is sourced from PubChem (CID 87594477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).