N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide

C18H23NO4S — CID 113099923

IUPACN-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCCc1ccccc1OCCNS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H23NO4S/c1-4-15-7-5-6-8-18(15)23-12-11-19-24(20,21)16-9-10-17(22-3)14(2)13-16/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyLSFVQHFHABUVNL-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.92
Rot. Bonds8

About N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide

N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 113099923) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID113099923
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCCc1ccccc1OCCNS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H23NO4S/c1-4-15-7-5-6-8-18(15)23-12-11-19-24(20,21)16-9-10-17(22-3)14(2)13-16/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyLSFVQHFHABUVNL-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101166
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
N-[2-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456556
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102271
N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099946
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide
CID 90575722
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide
CID 55352634

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide (CID 113099923) is N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide is CCc1ccccc1OCCNS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is LSFVQHFHABUVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-4-15-7-5-6-8-18(15)23-12-11-19-24(20,21)16-9-10-17(22-3)14(2)13-16/h5-10,13,19H,4,11-12H2,1-3H3.
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 113099923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).