N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride

C24H30ClN3O3S2 — CID 11533543

IUPACN-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C24H29N3O3S2.ClH/c1-3-19-15-21(17(2)25-24(19)28)22-9-10-23(31-22)32(29,30)26-20-11-13-27(14-12-20)16-18-7-5-4-6-8-18;/h4-10,15,20,26H,3,11-14,16H2,1-2H3,(H,25,28);1H
InChIKeyOTIHZHXCYORMFO-UHFFFAOYSA-N
MW508.11 g/mol
LogP4.34
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride

N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 11533543) has the molecular formula C24H30ClN3O3S2 and a molecular weight of 508.11 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
PubChem CID11533543
Molecular FormulaC24H30ClN3O3S2
Molecular Weight508.11 g/mol
Exact Mass507.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C24H29N3O3S2.ClH/c1-3-19-15-21(17(2)25-24(19)28)22-9-10-23(31-22)32(29,30)26-20-11-13-27(14-12-20)16-18-7-5-4-6-8-18;/h4-10,15,20,26H,3,11-14,16H2,1-2H3,(H,25,28);1H
InChIKeyOTIHZHXCYORMFO-UHFFFAOYSA-N
XLogP4.34
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.11
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11533544
N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11698515
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 58808634
N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 55355371
N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 86610353
5-[5-[[[1-(cyclohexylmethyl)piperidin-4-yl]amino]methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one;dihydrochloride
CID 67492471
N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 67492282
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 46823312
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride (CID 11533543) is N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride is CCc1cc(-c2ccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)s2)c(C)[nH]c1=O.Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is OTIHZHXCYORMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2.ClH/c1-3-19-15-21(17(2)25-24(19)28)22-9-10-23(31-22)32(29,30)26-20-11-13-27(14-12-20)16-18-7-5-4-6-8-18;/h4-10,15,20,26H,3,11-14,16H2,1-2H3,(H,25,28);1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 508.11 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 11533543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).