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

C16H25N3O4S — CID 119296308

IUPACN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)C2CCCCN2)cc1
InChIInChI=1S/C16H25N3O4S/c1-23-11-10-19-24(21,22)14-7-5-13(6-8-14)12-18-16(20)15-4-2-3-9-17-15/h5-8,15,17,19H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyRNFQGWPVALUZPB-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.37
Rot. Bonds8

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

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 119296308) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID119296308
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)C2CCCCN2)cc1
InChIInChI=1S/C16H25N3O4S/c1-23-11-10-19-24(21,22)14-7-5-13(6-8-14)12-18-16(20)15-4-2-3-9-17-15/h5-8,15,17,19H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyRNFQGWPVALUZPB-UHFFFAOYSA-N
XLogP0.37
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.37
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]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119296309
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119296317
N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 119289286
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide (CID 119296308) is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide is COCCNS(=O)(=O)c1ccc(CNC(=O)C2CCCCN2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is RNFQGWPVALUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-23-11-10-19-24(21,22)14-7-5-13(6-8-14)12-18-16(20)15-4-2-3-9-17-15/h5-8,15,17,19H,2-4,9-12H2,1H3,(H,18,20).
What are the key properties of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide?
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.37, 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-2-carboxamide is sourced from PubChem (CID 119296308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).