potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide

C20H29KN2O3S — CID 142885263

IUPACpotassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide
SMILESCC(C)(C)c1ccc(CC[N-]O)cc1.Cc1ccc(NS(C)(=O)=O)cc1.[K+]
InChIInChI=1S/C12H18NO.C8H11NO2S.K/c1-12(2,3)11-6-4-10(5-7-11)8-9-13-14;1-7-3-5-8(6-4-7)9-12(2,10)11;/h4-7,14H,8-9H2,1-3H3;3-6,9H,1-2H3;/q-1;;+1
InChIKeyRSIGDBWMNKGCAJ-UHFFFAOYSA-N
MW416.63 g/mol
LogP1.66
Rot. Bonds5

About potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide

potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide (PubChem CID 142885263) has the molecular formula C20H29KN2O3S and a molecular weight of 416.63 g/mol. Its IUPAC name is potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Namepotassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide
PubChem CID142885263
Molecular FormulaC20H29KN2O3S
Molecular Weight416.63 g/mol
Exact Mass416.15
IUPAC Namepotassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide
SMILESCC(C)(C)c1ccc(CC[N-]O)cc1.Cc1ccc(NS(C)(=O)=O)cc1.[K+]
InChIInChI=1S/C12H18NO.C8H11NO2S.K/c1-12(2,3)11-6-4-10(5-7-11)8-9-13-14;1-7-3-5-8(6-4-7)9-12(2,10)11;/h4-7,14H,8-9H2,1-3H3;3-6,9H,1-2H3;/q-1;;+1
InChIKeyRSIGDBWMNKGCAJ-UHFFFAOYSA-N
XLogP1.66
TPSA80.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.63
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)phenyl]methyl]propanethioamide
CID 11855045
3-(4-tert-butylphenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]propanethioamide
CID 87894228
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methanesulfonamide
CID 159770469
N-[4-[[3-[(4-tert-butylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 11949830
1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]-1-sulfanylurea
CID 91516144
N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 54136082
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
methanesulfonic acid;1-methyl-4-[4-[2-(4-methylphenyl)ethyl]phenyl]benzene
CID 91314027
N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide
CID 88730159

Frequently Asked Questions

What is the IUPAC name of potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide (CID 142885263) is potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide is CC(C)(C)c1ccc(CC[N-]O)cc1.Cc1ccc(NS(C)(=O)=O)cc1.[K+].
What is the InChIKey of potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide?
The InChIKey is RSIGDBWMNKGCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO.C8H11NO2S.K/c1-12(2,3)11-6-4-10(5-7-11)8-9-13-14;1-7-3-5-8(6-4-7)9-12(2,10)11;/h4-7,14H,8-9H2,1-3H3;3-6,9H,1-2H3;/q-1;;+1.
What are the key properties of potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide?
potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide has a molecular weight of 416.63 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 142885263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).