2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide

C22H29N3O5S — CID 92649125

IUPAC2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(c1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H29N3O5S/c1-24(31(27,28)21-6-3-2-4-7-21)19-8-10-20(11-9-19)30-18-22(26)23-12-5-13-25-14-16-29-17-15-25/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
InChIKeyHUFJIBMPRGFPJB-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.73
Rot. Bonds10

About 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 92649125) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID92649125
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(c1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H29N3O5S/c1-24(31(27,28)21-6-3-2-4-7-21)19-8-10-20(11-9-19)30-18-22(26)23-12-5-13-25-14-16-29-17-15-25/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
InChIKeyHUFJIBMPRGFPJB-UHFFFAOYSA-N
XLogP1.73
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4130735
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 17247264
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide
CID 3533015
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45372530
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 92648113
N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 23446712
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide
CID 17247085

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide (CID 92649125) is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide is CN(c1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is HUFJIBMPRGFPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-24(31(27,28)21-6-3-2-4-7-21)19-8-10-20(11-9-19)30-18-22(26)23-12-5-13-25-14-16-29-17-15-25/h2-4,6-11H,5,12-18H2,1H3,(H,23,26).
What are the key properties of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 447.56 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 92649125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).