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

C20H23N3O6S — CID 43002871

IUPAC4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-2-28-16-9-11-17(12-10-16)30(26,27)23-15-7-5-14(6-8-15)19(24)21-22-20(25)18-4-3-13-29-18/h5-12,18,23H,2-4,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyQPMAZBHXOKAKIW-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.83
Rot. Bonds7

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

4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide (PubChem CID 43002871) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
PubChem CID43002871
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-2-28-16-9-11-17(12-10-16)30(26,27)23-15-7-5-14(6-8-15)19(24)21-22-20(25)18-4-3-13-29-18/h5-12,18,23H,2-4,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyQPMAZBHXOKAKIW-UHFFFAOYSA-N
XLogP1.83
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 75434591
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
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]oxolane-2-carboxamide
CID 43007147
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
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide (CID 43002871) is 4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C3CCCO3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is QPMAZBHXOKAKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-2-28-16-9-11-17(12-10-16)30(26,27)23-15-7-5-14(6-8-15)19(24)21-22-20(25)18-4-3-13-29-18/h5-12,18,23H,2-4,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 433.49 g/mol, XLogP of 1.83, 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-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 43002871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).