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

C15H19NO4S2 — CID 30366287

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C15H19NO4S2/c1-3-19-13-5-7-14(8-6-13)20-11-10-16-22(17,18)15-9-4-12(2)21-15/h4-9,16H,3,10-11H2,1-2H3
InChIKeyXKXXDLRAJUBFTH-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.81
Rot. Bonds8

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

N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 30366287) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID30366287
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C15H19NO4S2/c1-3-19-13-5-7-14(8-6-13)20-11-10-16-22(17,18)15-9-4-12(2)21-15/h4-9,16H,3,10-11H2,1-2H3
InChIKeyXKXXDLRAJUBFTH-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.81
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-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30365965
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 113101511
5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101290
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2229391
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
CID 106304861
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide (CID 30366287) is N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide is CCOc1ccc(OCCNS(=O)(=O)c2ccc(C)s2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is XKXXDLRAJUBFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-3-19-13-5-7-14(8-6-13)20-11-10-16-22(17,18)15-9-4-12(2)21-15/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 341.45 g/mol, XLogP of 2.81, 8 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-methylthiophene-2-sulfonamide is sourced from PubChem (CID 30366287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).