2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide

C27H32N2O5S — CID 17247450

IUPAC2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O5S/c1-3-33-19-7-18-28-27(30)21-34-25-14-12-24(13-15-25)29(20-23-8-5-4-6-9-23)35(31,32)26-16-10-22(2)11-17-26/h4-6,8-17H,3,7,18-21H2,1-2H3,(H,28,30)
InChIKeyVRPZEZBNQLHUIA-UHFFFAOYSA-N
MW496.63 g/mol
LogP4.31
Rot. Bonds13

About 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide

2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide (PubChem CID 17247450) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide
PubChem CID17247450
Molecular FormulaC27H32N2O5S
Molecular Weight496.63 g/mol
Exact Mass496.20
IUPAC Name2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O5S/c1-3-33-19-7-18-28-27(30)21-34-25-14-12-24(13-15-25)29(20-23-8-5-4-6-9-23)35(31,32)26-16-10-22(2)11-17-26/h4-6,8-17H,3,7,18-21H2,1-2H3,(H,28,30)
InChIKeyVRPZEZBNQLHUIA-UHFFFAOYSA-N
XLogP4.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-propan-2-yloxypropyl)acetamide
CID 17247451
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-phenylethyl)acetamide
CID 17247484
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17247458
N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247460
methyl 2-[[2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzoate
CID 17247430
N-(3-ethoxypropyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152032
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 124537240
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide
CID 92649336
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30203542
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide (CID 17247450) is 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide?
The InChIKey is VRPZEZBNQLHUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-3-33-19-7-18-28-27(30)21-34-25-14-12-24(13-15-25)29(20-23-8-5-4-6-9-23)35(31,32)26-16-10-22(2)11-17-26/h4-6,8-17H,3,7,18-21H2,1-2H3,(H,28,30).
What are the key properties of 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide?
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide has a molecular weight of 496.63 g/mol, XLogP of 4.31, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 17247450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).