N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C16H26ClN3O4S — CID 119296317

IUPACN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-23-11-10-19-24(21,22)15-4-2-13(3-5-15)12-18-16(20)14-6-8-17-9-7-14;/h2-5,14,17,19H,6-12H2,1H3,(H,18,20);1H
InChIKeyRKNALGXZXWDYKI-UHFFFAOYSA-N
MW391.92 g/mol
LogP0.65
Rot. Bonds8

About N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119296317) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119296317
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-23-11-10-19-24(21,22)15-4-2-13(3-5-15)12-18-16(20)14-6-8-17-9-7-14;/h2-5,14,17,19H,6-12H2,1H3,(H,18,20);1H
InChIKeyRKNALGXZXWDYKI-UHFFFAOYSA-N
XLogP0.65
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide
CID 119296308
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119296309
N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119821892
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine
CID 110934369
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
CID 28719184

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 119296317) is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is COCCNS(=O)(=O)c1ccc(CNC(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is RKNALGXZXWDYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-23-11-10-19-24(21,22)15-4-2-13(3-5-15)12-18-16(20)14-6-8-17-9-7-14;/h2-5,14,17,19H,6-12H2,1H3,(H,18,20);1H.
What are the key properties of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119296317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).