4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide

C22H22N4O5S — CID 30291015

IUPAC4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C)nc3)cc2)cc1
InChIInChI=1S/C22H22N4O5S/c1-3-31-19-10-12-20(13-11-19)32(29,30)26-18-8-6-16(7-9-18)21(27)24-25-22(28)17-5-4-15(2)23-14-17/h4-14,26H,3H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWYYHUSMINAGASB-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.66
Rot. Bonds7

About 4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide

4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 30291015) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID30291015
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC Name4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C)nc3)cc2)cc1
InChIInChI=1S/C22H22N4O5S/c1-3-31-19-10-12-20(13-11-19)32(29,30)26-18-8-6-16(7-9-18)21(27)24-25-22(28)17-5-4-15(2)23-14-17/h4-14,26H,3H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWYYHUSMINAGASB-UHFFFAOYSA-N
XLogP2.66
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.66
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

N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998
N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829
4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 75434591
4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106832
4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 43002871
4-ethoxy-N-[4-[[[(2E,4E)-hexa-2,4-dienoyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26774617
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 55359716
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
4-ethoxy-N-[4-[(1H-indazole-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 26774621
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide (CID 30291015) is 4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C)nc3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is WYYHUSMINAGASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-3-31-19-10-12-20(13-11-19)32(29,30)26-18-8-6-16(7-9-18)21(27)24-25-22(28)17-5-4-15(2)23-14-17/h4-14,26H,3H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide?
4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 454.51 g/mol, XLogP of 2.66, 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-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 30291015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).