5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H17NO3S2 — CID 9267842

IUPAC5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C14H17NO3S2/c1-3-11-6-7-13(18-2)14(9-11)20(16,17)15-10-12-5-4-8-19-12/h4-9,15H,3,10H2,1-2H3
InChIKeyCALCKFIZLSIYKL-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.80
Rot. Bonds6

About 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9267842) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9267842
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C14H17NO3S2/c1-3-11-6-7-13(18-2)14(9-11)20(16,17)15-10-12-5-4-8-19-12/h4-9,15H,3,10H2,1-2H3
InChIKeyCALCKFIZLSIYKL-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide
CID 90613047
3-methoxy-4-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 102694688
4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202847
N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496140
2-methoxy-N-propyl-5-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 27261015
2-(ethylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143225
3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55599647

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9267842) is 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is CALCKFIZLSIYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-3-11-6-7-13(18-2)14(9-11)20(16,17)15-10-12-5-4-8-19-12/h4-9,15H,3,10H2,1-2H3.
What are the key properties of 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9267842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).