5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C13H16N2O2S2 — CID 47304245

IUPAC5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2cccnc2)s1
InChIInChI=1S/C13H16N2O2S2/c1-3-12-6-7-13(18-12)19(16,17)15(2)10-11-5-4-8-14-9-11/h4-9H,3,10H2,1-2H3
InChIKeyDOJCCIOBAWXRIW-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.53
Rot. Bonds5

About 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 47304245) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID47304245
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)Cc2cccnc2)s1
InChIInChI=1S/C13H16N2O2S2/c1-3-12-6-7-13(18-12)19(16,17)15(2)10-11-5-4-8-14-9-11/h4-9H,3,10H2,1-2H3
InChIKeyDOJCCIOBAWXRIW-UHFFFAOYSA-N
XLogP2.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360863
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 107202942
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 4984513
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563351
5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110716079
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 47304245) is 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(C)Cc2cccnc2)s1.
What is the InChIKey of 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is DOJCCIOBAWXRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-3-12-6-7-13(18-12)19(16,17)15(2)10-11-5-4-8-14-9-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 47304245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).