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

C13H20N2O2S2 — CID 106267582

IUPAC5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C13H20N2O2S2/c1-4-11(5-2)10-15(6-3)19(16,17)13-8-7-12(9-14)18-13/h7-8,11H,4-6,10H2,1-3H3
InChIKeyPONRDSFTYLHALK-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.07
Rot. Bonds7

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

5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide (PubChem CID 106267582) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
PubChem CID106267582
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C13H20N2O2S2/c1-4-11(5-2)10-15(6-3)19(16,17)13-8-7-12(9-14)18-13/h7-8,11H,4-6,10H2,1-3H3
InChIKeyPONRDSFTYLHALK-UHFFFAOYSA-N
XLogP3.07
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
5-cyano-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-sulfonamide
CID 106269262
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213
5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
CID 106267815
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate
CID 106267875
2-[benzyl-(5-cyanothiophen-2-yl)sulfonylamino]acetic acid
CID 154734007
4-amino-2-cyano-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587343
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide (CID 106267582) is 5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide?
The InChIKey is PONRDSFTYLHALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-4-11(5-2)10-15(6-3)19(16,17)13-8-7-12(9-14)18-13/h7-8,11H,4-6,10H2,1-3H3.
What are the key properties of 5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide?
5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).