5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide

C11H19NO4S2 — CID 54999328

IUPAC5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(O)COC)s1
InChIInChI=1S/C11H19NO4S2/c1-4-10-5-6-11(17-10)18(14,15)12(2)7-9(13)8-16-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyWPFNCNUSLOFHDB-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.94
Rot. Bonds7

About 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide

5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide (PubChem CID 54999328) has the molecular formula C11H19NO4S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
PubChem CID54999328
Molecular FormulaC11H19NO4S2
Molecular Weight293.41 g/mol
Exact Mass293.08
IUPAC Name5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(O)COC)s1
InChIInChI=1S/C11H19NO4S2/c1-4-10-5-6-11(17-10)18(14,15)12(2)7-9(13)8-16-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyWPFNCNUSLOFHDB-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
CID 54999136
5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 107202942
5-ethyl-N,N-bis(2-methylpropyl)thiophene-2-sulfonamide
CID 60530858
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 62637176
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 54999137
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282
1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide
CID 79373739
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54941944
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
4-bromo-3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 103880498

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide (CID 54999328) is 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(C)CC(O)COC)s1.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is WPFNCNUSLOFHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S2/c1-4-10-5-6-11(17-10)18(14,15)12(2)7-9(13)8-16-3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide?
5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 54999328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).