N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide

C15H22N2O5S — CID 91954252

IUPACN-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide
SMILESCOCCNS(=O)(=O)Cc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H22N2O5S/c1-21-9-7-16-23(19,20)11-12-4-2-5-13(10-12)17-15(18)14-6-3-8-22-14/h2,4-5,10,14,16H,3,6-9,11H2,1H3,(H,17,18)
InChIKeyNHFFHERFKBUGQP-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.87
Rot. Bonds8

About N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide

N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide (PubChem CID 91954252) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide
PubChem CID91954252
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide
SMILESCOCCNS(=O)(=O)Cc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H22N2O5S/c1-21-9-7-16-23(19,20)11-12-4-2-5-13(10-12)17-15(18)14-6-3-8-22-14/h2,4-5,10,14,16H,3,6-9,11H2,1H3,(H,17,18)
InChIKeyNHFFHERFKBUGQP-UHFFFAOYSA-N
XLogP0.87
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147
N-[3-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111181859
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide
CID 860518
N-[3-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111181858
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide (CID 91954252) is N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide is COCCNS(=O)(=O)Cc1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is NHFFHERFKBUGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-9-7-16-23(19,20)11-12-4-2-5-13(10-12)17-15(18)14-6-3-8-22-14/h2,4-5,10,14,16H,3,6-9,11H2,1H3,(H,17,18).
What are the key properties of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide?
N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 91954252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).