4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide

C25H27N3O6S — CID 26774579

IUPAC4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCOc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C25H27N3O6S/c1-3-33-21-11-13-23(14-12-21)35(31,32)28-20-9-7-19(8-10-20)25(30)27-26-24(29)15-16-34-22-6-4-5-18(2)17-22/h4-14,17,28H,3,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKRLAXTKKFKNQKX-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.42
Rot. Bonds10

About 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide

4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 26774579) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID26774579
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCOc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C25H27N3O6S/c1-3-33-21-11-13-23(14-12-21)35(31,32)28-20-9-7-19(8-10-20)25(30)27-26-24(29)15-16-34-22-6-4-5-18(2)17-22/h4-14,17,28H,3,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKRLAXTKKFKNQKX-UHFFFAOYSA-N
XLogP3.42
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.42
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-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 55359716
4-ethoxy-N-[4-[(4-thiophen-2-ylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide
CID 4847097
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-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
4-ethoxy-N-[4-[[[(2E,4E)-hexa-2,4-dienoyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26774617
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide (CID 26774579) is 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCOc3cccc(C)c3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is KRLAXTKKFKNQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-3-33-21-11-13-23(14-12-21)35(31,32)28-20-9-7-19(8-10-20)25(30)27-26-24(29)15-16-34-22-6-4-5-18(2)17-22/h4-14,17,28H,3,15-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide?
4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 497.57 g/mol, XLogP of 3.42, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 26774579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).