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

C18H25N3O3S2 — CID 11561062

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)N(C)C3CCNCC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H25N3O3S2/c1-4-13-11-15(12(2)20-18(13)22)16-5-6-17(25-16)26(23,24)21(3)14-7-9-19-10-8-14/h5-6,11,14,19H,4,7-10H2,1-3H3,(H,20,22)
InChIKeyAKFRVPVVJMMMJD-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.35
Rot. Bonds5

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

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide (PubChem CID 11561062) 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-methyl-N-piperidin-4-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
PubChem CID11561062
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)N(C)C3CCNCC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H25N3O3S2/c1-4-13-11-15(12(2)20-18(13)22)16-5-6-17(25-16)26(23,24)21(3)14-7-9-19-10-8-14/h5-6,11,14,19H,4,7-10H2,1-3H3,(H,20,22)
InChIKeyAKFRVPVVJMMMJD-UHFFFAOYSA-N
XLogP2.35
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 58808675
N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride
CID 119965838
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
CID 107173116
N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11698515
3-ethyl-5-[5-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propylsulfonyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
CID 157244439
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride
CID 71082906
N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11533544
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 11705027
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 58808571
N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 86610353
N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 67492282
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 58808634

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide (CID 11561062) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)N(C)C3CCNCC3)s2)c(C)[nH]c1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide?
The InChIKey is AKFRVPVVJMMMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-4-13-11-15(12(2)20-18(13)22)16-5-6-17(25-16)26(23,24)21(3)14-7-9-19-10-8-14/h5-6,11,14,19H,4,7-10H2,1-3H3,(H,20,22).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide has a molecular weight of 395.55 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 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-methyl-N-piperidin-4-ylthiophene-2-sulfonamide is sourced from PubChem (CID 11561062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).