4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide

C19H25N3O6S — CID 110169427

IUPAC4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide
SMILESCS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H25N3O6S/c1-29(25,26)22-15-4-8-18(9-5-15)28-13-16(23)12-21-10-11-27-17-6-2-14(3-7-17)19(20)24/h2-9,16,21-23H,10-13H2,1H3,(H2,20,24)
InChIKeyQTFOAOCNQJXGKS-UHFFFAOYSA-N
MW423.49 g/mol
LogP0.57
Rot. Bonds12

About 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide

4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide (PubChem CID 110169427) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide
PubChem CID110169427
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide
SMILESCS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H25N3O6S/c1-29(25,26)22-15-4-8-18(9-5-15)28-13-16(23)12-21-10-11-27-17-6-2-14(3-7-17)19(20)24/h2-9,16,21-23H,10-13H2,1H3,(H2,20,24)
InChIKeyQTFOAOCNQJXGKS-UHFFFAOYSA-N
XLogP0.57
TPSA139.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
CID 115475945
N-[4-[(2S)-2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propoxy]phenyl]methanesulfonamide
CID 25107693
N-[4-[(2S)-3-[2-(3,5-dihydroxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 25107956
N-[4-[(2R)-3-[2-(3,4-difluoroanilino)ethylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 67250300
1-[2-(4-chlorophenoxy)ethylamino]-3-(4-methylsulfonylphenoxy)propan-2-ol
CID 22766037
N-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide;hydrochloride
CID 67689935
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
N-[4-[3-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]-3-methylbutoxy]phenyl]propane-1-sulfonamide
CID 54048901
N-[3-[3-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]propyl-methylamino]propyl]-4-(methanesulfonamido)benzamide;oxalic acid
CID 110168560
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
4-[2-[[2-hydroxy-3-[[8-[(4-methylphenyl)sulfonylamino]-2-oxo-3,4-dihydro-1H-quinolin-5-yl]oxy]propyl]amino]ethoxy]benzamide
CID 21326346
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide?
The IUPAC name of 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide (CID 110169427) is 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide.
What is the SMILES notation for 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide?
The canonical SMILES for 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide is CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide?
The InChIKey is QTFOAOCNQJXGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-29(25,26)22-15-4-8-18(9-5-15)28-13-16(23)12-21-10-11-27-17-6-2-14(3-7-17)19(20)24/h2-9,16,21-23H,10-13H2,1H3,(H2,20,24).
What are the key properties of 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide?
4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide has a molecular weight of 423.49 g/mol, XLogP of 0.57, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide is sourced from PubChem (CID 110169427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).