4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide

C19H21N3O6S — CID 75434591

IUPAC4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C3CCO3)cc2)cc1
InChIInChI=1S/C19H21N3O6S/c1-2-27-15-7-9-16(10-8-15)29(25,26)22-14-5-3-13(4-6-14)18(23)20-21-19(24)17-11-12-28-17/h3-10,17,22H,2,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyRRUVTEIIGRWANX-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.44
Rot. Bonds7

About 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide

4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide (PubChem CID 75434591) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
PubChem CID75434591
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C3CCO3)cc2)cc1
InChIInChI=1S/C19H21N3O6S/c1-2-27-15-7-9-16(10-8-15)29(25,26)22-14-5-3-13(4-6-14)18(23)20-21-19(24)17-11-12-28-17/h3-10,17,22H,2,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyRRUVTEIIGRWANX-UHFFFAOYSA-N
XLogP1.44
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide 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

4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 43002871
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 30291015
N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55854015
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413
4-ethoxy-N-[4-[[[(2E,4E)-hexa-2,4-dienoyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26774617
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 55359716
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide (CID 75434591) is 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C3CCO3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is RRUVTEIIGRWANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-2-27-15-7-9-16(10-8-15)29(25,26)22-14-5-3-13(4-6-14)18(23)20-21-19(24)17-11-12-28-17/h3-10,17,22H,2,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 419.46 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 75434591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).