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

C21H27N5O3S2 — CID 58808569

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NC3CCN(Cc4ncc[nH]4)CC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C21H27N5O3S2/c1-3-15-12-17(14(2)24-21(15)27)18-4-5-20(30-18)31(28,29)25-16-6-10-26(11-7-16)13-19-22-8-9-23-19/h4-5,8-9,12,16,25H,3,6-7,10-11,13H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyQWJGKXJBKIKKLC-UHFFFAOYSA-N
MW461.61 g/mol
LogP2.64
Rot. Bonds7

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

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 58808569) has the molecular formula C21H27N5O3S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID58808569
Molecular FormulaC21H27N5O3S2
Molecular Weight461.61 g/mol
Exact Mass461.16
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NC3CCN(Cc4ncc[nH]4)CC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C21H27N5O3S2/c1-3-15-12-17(14(2)24-21(15)27)18-4-5-20(30-18)31(28,29)25-16-6-10-26(11-7-16)13-19-22-8-9-23-19/h4-5,8-9,12,16,25H,3,6-7,10-11,13H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyQWJGKXJBKIKKLC-UHFFFAOYSA-N
XLogP2.64
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-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

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 58808569) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NC3CCN(Cc4ncc[nH]4)CC3)s2)c(C)[nH]c1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is QWJGKXJBKIKKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S2/c1-3-15-12-17(14(2)24-21(15)27)18-4-5-20(30-18)31(28,29)25-16-6-10-26(11-7-16)13-19-22-8-9-23-19/h4-5,8-9,12,16,25H,3,6-7,10-11,13H2,1-2H3,(H,22,23)(H,24,27).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 461.61 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 58808569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).