5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide

C12H21NO2S2 — CID 115613311

IUPAC5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(CC)CC)s1
InChIInChI=1S/C12H21NO2S2/c1-4-10(5-2)9-13-17(14,15)12-8-7-11(6-3)16-12/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyPYPYKUJATOQFCD-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.03
Rot. Bonds7

About 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide

5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide (PubChem CID 115613311) has the molecular formula C12H21NO2S2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
PubChem CID115613311
Molecular FormulaC12H21NO2S2
Molecular Weight275.44 g/mol
Exact Mass275.10
IUPAC Name5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(CC)CC)s1
InChIInChI=1S/C12H21NO2S2/c1-4-10(5-2)9-13-17(14,15)12-8-7-11(6-3)16-12/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyPYPYKUJATOQFCD-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-(3-ethyl-2-hydroxypentyl)thiophene-2-sulfonamide
CID 103835206
N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
CID 65031848
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90534466
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide (CID 115613311) is 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC(CC)CC)s1.
What is the InChIKey of 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide?
The InChIKey is PYPYKUJATOQFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S2/c1-4-10(5-2)9-13-17(14,15)12-8-7-11(6-3)16-12/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide?
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide has a molecular weight of 275.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 115613311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).