2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide

C19H25NO3S — CID 113101297

IUPAC2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide
SMILESCc1cc(C)c(OCCNS(=O)(=O)CCc2ccccc2)cc1C
InChIInChI=1S/C19H25NO3S/c1-15-13-17(3)19(14-16(15)2)23-11-10-20-24(21,22)12-9-18-7-5-4-6-8-18/h4-8,13-14,20H,9-12H2,1-3H3
InChIKeyRBWLSTHOXMXOPF-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.15
Rot. Bonds8

About 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide

2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide (PubChem CID 113101297) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide
PubChem CID113101297
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide
SMILESCc1cc(C)c(OCCNS(=O)(=O)CCc2ccccc2)cc1C
InChIInChI=1S/C19H25NO3S/c1-15-13-17(3)19(14-16(15)2)23-11-10-20-24(21,22)12-9-18-7-5-4-6-8-18/h4-8,13-14,20H,9-12H2,1-3H3
InChIKeyRBWLSTHOXMXOPF-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113103120
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974458
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide
CID 30867214
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
CID 83039199
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
CID 120717380
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852
N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
CID 113100955
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide (CID 113101297) is 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide is Cc1cc(C)c(OCCNS(=O)(=O)CCc2ccccc2)cc1C.
What is the InChIKey of 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide?
The InChIKey is RBWLSTHOXMXOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-15-13-17(3)19(14-16(15)2)23-11-10-20-24(21,22)12-9-18-7-5-4-6-8-18/h4-8,13-14,20H,9-12H2,1-3H3.
What are the key properties of 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide?
2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide is sourced from PubChem (CID 113101297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).