N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide

C15H19NO3S2 — CID 30365965

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1cc(C)cc(OCCNS(=O)(=O)c2ccc(C)s2)c1
InChIInChI=1S/C15H19NO3S2/c1-11-8-12(2)10-14(9-11)19-7-6-16-21(17,18)15-5-4-13(3)20-15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyJBYBLMLEOWMISW-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 30365965) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID30365965
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1cc(C)cc(OCCNS(=O)(=O)c2ccc(C)s2)c1
InChIInChI=1S/C15H19NO3S2/c1-11-8-12(2)10-14(9-11)19-7-6-16-21(17,18)15-5-4-13(3)20-15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyJBYBLMLEOWMISW-UHFFFAOYSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.03
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

5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
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-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
CID 106304861
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide (CID 30365965) is N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide is Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc(C)s2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is JBYBLMLEOWMISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-11-8-12(2)10-14(9-11)19-7-6-16-21(17,18)15-5-4-13(3)20-15/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 30365965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).