N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide

C17H28N2O3S — CID 141017329

IUPACN'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide
SMILESCCCCC(=O)NN(C[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H28N2O3S/c1-5-7-8-17(20)18-19(13-14(3)6-2)23(21,22)16-11-9-15(4)10-12-16/h9-12,14H,5-8,13H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyXLSMIXYFNFKPRD-AWEZNQCLSA-N
MW340.49 g/mol
LogP3.25
Rot. Bonds9

About N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide

N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide (PubChem CID 141017329) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide
PubChem CID141017329
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide
SMILESCCCCC(=O)NN(C[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H28N2O3S/c1-5-7-8-17(20)18-19(13-14(3)6-2)23(21,22)16-11-9-15(4)10-12-16/h9-12,14H,5-8,13H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyXLSMIXYFNFKPRD-AWEZNQCLSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[(4-methylphenyl)sulfonyl-propylamino]propanoic acid
CID 82326517
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
(2S,4R)-N-butyl-2-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]carbamoyl]-4-sulfanylpyrrolidine-1-sulfonamide
CID 87884523
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(4-methylphenyl)butanamide
CID 55773914
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 102300698
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 139038475
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
N-[(E)-3-(1-hydroxyethyl)oct-2-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 101365461
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-(4-methylphenyl)pentanamide
CID 3662375
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide?
The IUPAC name of N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide (CID 141017329) is N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide.
What is the SMILES notation for N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide?
The canonical SMILES for N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide is CCCCC(=O)NN(C[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide?
The InChIKey is XLSMIXYFNFKPRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-7-8-17(20)18-19(13-14(3)6-2)23(21,22)16-11-9-15(4)10-12-16/h9-12,14H,5-8,13H2,1-4H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide?
N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide has a molecular weight of 340.49 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-methylbutyl]-N'-(4-methylphenyl)sulfonylpentanehydrazide is sourced from PubChem (CID 141017329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).