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

C21H27N5O3S2 — CID 11518922

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)N(C)C3CCN(c4ncc[nH]4)CC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C21H27N5O3S2/c1-4-15-13-17(14(2)24-20(15)27)18-5-6-19(30-18)31(28,29)25(3)16-7-11-26(12-8-16)21-22-9-10-23-21/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,22,23)(H,24,27)
InChIKeyCTLXOGOAQUIAMJ-UHFFFAOYSA-N
MW461.61 g/mol
LogP2.99
Rot. Bonds6

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

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 11518922) 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-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide
PubChem CID11518922
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-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)N(C)C3CCN(c4ncc[nH]4)CC3)s2)c(C)[nH]c1=O
InChIInChI=1S/C21H27N5O3S2/c1-4-15-13-17(14(2)24-20(15)27)18-5-6-19(30-18)31(28,29)25(3)16-7-11-26(12-8-16)21-22-9-10-23-21/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,22,23)(H,24,27)
InChIKeyCTLXOGOAQUIAMJ-UHFFFAOYSA-N
XLogP2.99
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-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-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide (CID 11518922) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)N(C)C3CCN(c4ncc[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-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is CTLXOGOAQUIAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S2/c1-4-15-13-17(14(2)24-20(15)27)18-5-6-19(30-18)31(28,29)25(3)16-7-11-26(12-8-16)21-22-9-10-23-21/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(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-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 461.61 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 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-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 11518922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).