N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid

C14H20N2O4S2 — CID 158322724

IUPACN-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid
SMILESCCC(=O)O.CCn1ccc(N(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C11H14N2O2S2.C3H6O2/c1-3-13-7-6-10(9-13)12(2)17(14,15)11-5-4-8-16-11;1-2-3(4)5/h4-9H,3H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyGPAVLLIFQXCZBJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.88
Rot. Bonds5

About N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid

N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid (PubChem CID 158322724) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid.

Molecular Properties

Compound NameN-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid
PubChem CID158322724
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC NameN-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid
SMILESCCC(=O)O.CCn1ccc(N(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C11H14N2O2S2.C3H6O2/c1-3-13-7-6-10(9-13)12(2)17(14,15)11-5-4-8-16-11;1-2-3(4)5/h4-9H,3H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyGPAVLLIFQXCZBJ-UHFFFAOYSA-N
XLogP2.88
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid?
The IUPAC name of N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid (CID 158322724) is N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid.
What is the SMILES notation for N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid?
The canonical SMILES for N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid is CCC(=O)O.CCn1ccc(N(C)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid?
The InChIKey is GPAVLLIFQXCZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2.C3H6O2/c1-3-13-7-6-10(9-13)12(2)17(14,15)11-5-4-8-16-11;1-2-3(4)5/h4-9H,3H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid?
N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid has a molecular weight of 344.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid is sourced from PubChem (CID 158322724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).