N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride

C19H26ClN3O3S2 — CID 55355371

IUPACN-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)s1.Cl
InChIInChI=1S/C19H25N3O3S2.ClH/c1-15(23)20-13-18-7-8-19(26-18)27(24,25)21-17-9-11-22(12-10-17)14-16-5-3-2-4-6-16;/h2-8,17,21H,9-14H2,1H3,(H,20,23);1H
InChIKeyMNTVZAYKLXTIPN-UHFFFAOYSA-N
MW444.02 g/mol
LogP2.75
Rot. Bonds7

About N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride

N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride (PubChem CID 55355371) has the molecular formula C19H26ClN3O3S2 and a molecular weight of 444.02 g/mol. Its IUPAC name is N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
PubChem CID55355371
Molecular FormulaC19H26ClN3O3S2
Molecular Weight444.02 g/mol
Exact Mass443.11
IUPAC NameN-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)s1.Cl
InChIInChI=1S/C19H25N3O3S2.ClH/c1-15(23)20-13-18-7-8-19(26-18)27(24,25)21-17-9-11-22(12-10-17)14-16-5-3-2-4-6-16;/h2-8,17,21H,9-14H2,1H3,(H,20,23);1H
InChIKeyMNTVZAYKLXTIPN-UHFFFAOYSA-N
XLogP2.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.02
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(1-benzylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55681821
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823724
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 11533543
N-(1-benzylpiperidin-4-yl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 11533544
N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
CID 60594688
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132627

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride (CID 55355371) is N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride is CC(=O)NCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)s1.Cl.
What is the InChIKey of N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is MNTVZAYKLXTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2.ClH/c1-15(23)20-13-18-7-8-19(26-18)27(24,25)21-17-9-11-22(12-10-17)14-16-5-3-2-4-6-16;/h2-8,17,21H,9-14H2,1H3,(H,20,23);1H.
What are the key properties of N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 444.02 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 55355371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).