N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide

C16H21NO4S2 — CID 30366253

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(CC)s2)cc1
InChIInChI=1S/C16H21NO4S2/c1-3-15-9-10-16(22-15)23(18,19)17-11-12-21-14-7-5-13(6-8-14)20-4-2/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyCXTZOSYAGMHQKJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.07
Rot. Bonds9

About N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide

N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 30366253) has the molecular formula C16H21NO4S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
PubChem CID30366253
Molecular FormulaC16H21NO4S2
Molecular Weight355.48 g/mol
Exact Mass355.09
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(CC)s2)cc1
InChIInChI=1S/C16H21NO4S2/c1-3-15-9-10-16(22-15)23(18,19)17-11-12-21-14-7-5-13(6-8-14)20-4-2/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyCXTZOSYAGMHQKJ-UHFFFAOYSA-N
XLogP3.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 113100868
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2229391
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide
CID 61031743
5-ethyl-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 18588400

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide (CID 30366253) is N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide is CCOc1ccc(OCCNS(=O)(=O)c2ccc(CC)s2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is CXTZOSYAGMHQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S2/c1-3-15-9-10-16(22-15)23(18,19)17-11-12-21-14-7-5-13(6-8-14)20-4-2/h5-10,17H,3-4,11-12H2,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide?
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 355.48 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 30366253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).