5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide

C13H20N2O3S2 — CID 110736772

IUPAC5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CC(=O)N(C(C)C)C2)s1
InChIInChI=1S/C13H20N2O3S2/c1-4-11-5-6-13(19-11)20(17,18)14-10-7-12(16)15(8-10)9(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyUHGJUDMWPCGEKS-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.60
Rot. Bonds5

About 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide

5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide (PubChem CID 110736772) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide
PubChem CID110736772
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CC(=O)N(C(C)C)C2)s1
InChIInChI=1S/C13H20N2O3S2/c1-4-11-5-6-13(19-11)20(17,18)14-10-7-12(16)15(8-10)9(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyUHGJUDMWPCGEKS-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide (CID 110736772) is 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC2CC(=O)N(C(C)C)C2)s1.
What is the InChIKey of 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The InChIKey is UHGJUDMWPCGEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-4-11-5-6-13(19-11)20(17,18)14-10-7-12(16)15(8-10)9(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide?
5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110736772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).