N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide

C18H21NO2S2 — CID 100515606

IUPACN-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C18H21NO2S2/c1-4-14-19(18-9-7-6-8-15(18)5-2)23(20,21)17-12-10-16(22-3)11-13-17/h4,6-13H,1,5,14H2,2-3H3
InChIKeyRGGIKPPEBQVJEO-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.35
Rot. Bonds7

About N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide

N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 100515606) has the molecular formula C18H21NO2S2 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
PubChem CID100515606
Molecular FormulaC18H21NO2S2
Molecular Weight347.51 g/mol
Exact Mass347.10
IUPAC NameN-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C18H21NO2S2/c1-4-14-19(18-9-7-6-8-15(18)5-2)23(20,21)17-12-10-16(22-3)11-13-17/h4,6-13H,1,5,14H2,2-3H3
InChIKeyRGGIKPPEBQVJEO-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517325
N-(5-chloro-2-methylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517814
4-methylsulfanyl-N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100516677
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 6876899
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 53280295
N-(2-methoxy-5-nitrophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100518825
N-(3-chloro-4-methylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517959
4-methyl-N-[2-[[(4-methylphenyl)sulfonyl-(2-trimethylsilylethynyl)amino]methyl]phenyl]-N-prop-2-enylbenzenesulfonamide
CID 138978700
4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 52706398
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126035444
N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 132517238
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide (CID 100515606) is N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is RGGIKPPEBQVJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S2/c1-4-14-19(18-9-7-6-8-15(18)5-2)23(20,21)17-12-10-16(22-3)11-13-17/h4,6-13H,1,5,14H2,2-3H3.
What are the key properties of N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 347.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 100515606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).