2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide

C24H33N3O6S — CID 4130735

IUPAC2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H33N3O6S/c1-3-32-21-9-11-23(12-10-21)34(29,30)26(2)20-5-7-22(8-6-20)33-19-24(28)25-13-4-14-27-15-17-31-18-16-27/h5-12H,3-4,13-19H2,1-2H3,(H,25,28)
InChIKeyJXTGHVYICPJIAG-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.13
Rot. Bonds12

About 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide

2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 4130735) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID4130735
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H33N3O6S/c1-3-32-21-9-11-23(12-10-21)34(29,30)26(2)20-5-7-22(8-6-20)33-19-24(28)25-13-4-14-27-15-17-31-18-16-27/h5-12H,3-4,13-19H2,1-2H3,(H,25,28)
InChIKeyJXTGHVYICPJIAG-UHFFFAOYSA-N
XLogP2.13
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 92649125
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 17247264
N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45372530
4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide
CID 3533015
N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 23446712
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113144868
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
N,4-dimethyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzenesulfonamide
CID 1190688
N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 125145042
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide (CID 4130735) is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide is CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is JXTGHVYICPJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-3-32-21-9-11-23(12-10-21)34(29,30)26(2)20-5-7-22(8-6-20)33-19-24(28)25-13-4-14-27-15-17-31-18-16-27/h5-12H,3-4,13-19H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 491.61 g/mol, XLogP of 2.13, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 4130735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).