4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide

C24H25N3O6S — CID 55359716

IUPAC4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)COCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O6S/c1-2-33-21-12-14-22(15-13-21)34(30,31)27-20-10-8-19(9-11-20)24(29)26-25-23(28)17-32-16-18-6-4-3-5-7-18/h3-15,27H,2,16-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyMSXWHIOYWSGCLJ-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.86
Rot. Bonds10

About 4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide

4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 55359716) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID55359716
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)COCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O6S/c1-2-33-21-12-14-22(15-13-21)34(30,31)27-20-10-8-19(9-11-20)24(29)26-25-23(28)17-32-16-18-6-4-3-5-7-18/h3-15,27H,2,16-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyMSXWHIOYWSGCLJ-UHFFFAOYSA-N
XLogP2.86
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.86
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-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30874214
4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 30291015
4-ethoxy-N-[4-[(1H-indazole-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 26774621
4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide
CID 26774579
4-ethoxy-N-[4-[(4-thiophen-2-ylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide
CID 4847097
(2S)-3-[4-[(4-heptoxyphenyl)sulfonylamino]phenyl]-2-[[4-[(2-phenylmethoxyacetyl)amino]benzoyl]amino]propanoic acid
CID 58546027
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-ethoxy-N-[4-[[[(2E,4E)-hexa-2,4-dienoyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26774617
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 27826829

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide (CID 55359716) is 4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)COCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is MSXWHIOYWSGCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-2-33-21-12-14-22(15-13-21)34(30,31)27-20-10-8-19(9-11-20)24(29)26-25-23(28)17-32-16-18-6-4-3-5-7-18/h3-15,27H,2,16-17H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide?
4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 483.55 g/mol, XLogP of 2.86, 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-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 55359716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).