5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide

C18H25N3O3S2 — CID 58808675

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCC3CCNCC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H25N3O3S2/c1-3-14-10-15(12(2)21-18(14)22)16-4-5-17(25-16)26(23,24)20-11-13-6-8-19-9-7-13/h4-5,10,13,19-20H,3,6-9,11H2,1-2H3,(H,21,22)
InChIKeyLIZKNTYFOCBLLV-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.25
Rot. Bonds6

About 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 58808675) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID58808675
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCC3CCNCC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H25N3O3S2/c1-3-14-10-15(12(2)21-18(14)22)16-4-5-17(25-16)26(23,24)20-11-13-6-8-19-9-7-13/h4-5,10,13,19-20H,3,6-9,11H2,1-2H3,(H,21,22)
InChIKeyLIZKNTYFOCBLLV-UHFFFAOYSA-N
XLogP2.25
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide (CID 58808675) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NCC3CCNCC3)s2)c(C)[nH]c1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is LIZKNTYFOCBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-3-14-10-15(12(2)21-18(14)22)16-4-5-17(25-16)26(23,24)20-11-13-6-8-19-9-7-13/h4-5,10,13,19-20H,3,6-9,11H2,1-2H3,(H,21,22).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 395.55 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 58808675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).