5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide

C16H21NO3S2 — CID 113101290

IUPAC5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2cc(C)c(C)cc2C)s1
InChIInChI=1S/C16H21NO3S2/c1-11-9-13(3)15(10-12(11)2)20-8-7-17-22(18,19)16-6-5-14(4)21-16/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyYRZZLJAQBAMDHX-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.34
Rot. Bonds6

About 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 113101290) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
PubChem CID113101290
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC Name5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2cc(C)c(C)cc2C)s1
InChIInChI=1S/C16H21NO3S2/c1-11-9-13(3)15(10-12(11)2)20-8-7-17-22(18,19)16-6-5-14(4)21-16/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyYRZZLJAQBAMDHX-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.34
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

N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30365965
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-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 113100868
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 113101511
N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
CID 106304861
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
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 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide (CID 113101290) is 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCOc2cc(C)c(C)cc2C)s1.
What is the InChIKey of 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is YRZZLJAQBAMDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-11-9-13(3)15(10-12(11)2)20-8-7-17-22(18,19)16-6-5-14(4)21-16/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113101290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).