4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide

C22H31N3O4S — CID 56542585

IUPAC4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide
SMILESCC(CN1CCOCC1)N(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C22H31N3O4S/c1-19(17-24-11-14-28-15-12-24)25(18-20-5-3-2-4-6-20)13-16-29-21-7-9-22(10-8-21)30(23,26)27/h2-10,19H,11-18H2,1H3,(H2,23,26,27)
InChIKeyUAVAJFSUZRAGPO-UHFFFAOYSA-N
MW433.57 g/mol
LogP1.94
Rot. Bonds10

About 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide

4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide (PubChem CID 56542585) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide
PubChem CID56542585
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide
SMILESCC(CN1CCOCC1)N(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C22H31N3O4S/c1-19(17-24-11-14-28-15-12-24)25(18-20-5-3-2-4-6-20)13-16-29-21-7-9-22(10-8-21)30(23,26)27/h2-10,19H,11-18H2,1H3,(H2,23,26,27)
InChIKeyUAVAJFSUZRAGPO-UHFFFAOYSA-N
XLogP1.94
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile
CID 56542590
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 56570250
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
2-[4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56500698
N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500983
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56570050
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-methyl-N-(1-phenylethyl)acetamide
CID 56542974
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(1-phenylethyl)acetamide
CID 56542719
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide (CID 56542585) is 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide is CC(CN1CCOCC1)N(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1.
What is the InChIKey of 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide?
The InChIKey is UAVAJFSUZRAGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-19(17-24-11-14-28-15-12-24)25(18-20-5-3-2-4-6-20)13-16-29-21-7-9-22(10-8-21)30(23,26)27/h2-10,19H,11-18H2,1H3,(H2,23,26,27).
What are the key properties of 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide?
4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide has a molecular weight of 433.57 g/mol, XLogP of 1.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 56542585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).