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

C16H21NO3S2 — CID 113100868

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)s1
InChIInChI=1S/C16H21NO3S2/c1-4-14-7-8-16(21-14)22(18,19)17-9-10-20-15-11-12(2)5-6-13(15)3/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyFKPJRDNOCDTOAD-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.28
Rot. Bonds7

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

N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 113100868) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
PubChem CID113100868
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)s1
InChIInChI=1S/C16H21NO3S2/c1-4-14-7-8-16(21-14)22(18,19)17-9-10-20-15-11-12(2)5-6-13(15)3/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyFKPJRDNOCDTOAD-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.28
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-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852
5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101290
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900
5-ethyl-N-(3-quinolin-8-yloxypropyl)thiophene-2-sulfonamide
CID 56574545
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30365965
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide (CID 113100868) is N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)s1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is FKPJRDNOCDTOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-4-14-7-8-16(21-14)22(18,19)17-9-10-20-15-11-12(2)5-6-13(15)3/h5-8,11,17H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide?
N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 113100868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).