N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide

C15H24N2O5S — CID 46417508

IUPACN'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide
SMILESCOCCOc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1C
InChIInChI=1S/C15H24N2O5S/c1-11(2)9-15(18)16-17-23(19,20)13-5-6-14(12(3)10-13)22-8-7-21-4/h5-6,10-11,17H,7-9H2,1-4H3,(H,16,18)
InChIKeyZGRZEVDKOFGMMP-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.38
Rot. Bonds9

About N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide

N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide (PubChem CID 46417508) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide.

Molecular Properties

Compound NameN'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide
PubChem CID46417508
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC NameN'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide
SMILESCOCCOc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1C
InChIInChI=1S/C15H24N2O5S/c1-11(2)9-15(18)16-17-23(19,20)13-5-6-14(12(3)10-13)22-8-7-21-4/h5-6,10-11,17H,7-9H2,1-4H3,(H,16,18)
InChIKeyZGRZEVDKOFGMMP-UHFFFAOYSA-N
XLogP1.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126385177
4-(2-methoxyethoxy)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 46457688
N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide
CID 26951710
4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 55639328
4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 55639102
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935
methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
CID 47063153
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylbutanamide
CID 47115056
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664
[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea
CID 65214109
methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate
CID 55638896

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide?
The IUPAC name of N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide (CID 46417508) is N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide.
What is the SMILES notation for N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide?
The canonical SMILES for N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide is COCCOc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1C.
What is the InChIKey of N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide?
The InChIKey is ZGRZEVDKOFGMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-11(2)9-15(18)16-17-23(19,20)13-5-6-14(12(3)10-13)22-8-7-21-4/h5-6,10-11,17H,7-9H2,1-4H3,(H,16,18).
What are the key properties of N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide?
N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide has a molecular weight of 344.43 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide is sourced from PubChem (CID 46417508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).