2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol

C20H27N3O6S — CID 55829205

IUPAC2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1OCCO
InChIInChI=1S/C20H27N3O6S/c1-15(16-3-5-18(29-12-9-24)19(13-16)27-2)22-20-6-4-17(14-21-20)30(25,26)23-7-10-28-11-8-23/h3-6,13-15,24H,7-12H2,1-2H3,(H,21,22)
InChIKeyUUKPEGDRBJDEEP-UHFFFAOYSA-N
MW437.52 g/mol
LogP1.66
Rot. Bonds9

About 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol

2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol (PubChem CID 55829205) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
PubChem CID55829205
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC Name2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1OCCO
InChIInChI=1S/C20H27N3O6S/c1-15(16-3-5-18(29-12-9-24)19(13-16)27-2)22-20-6-4-17(14-21-20)30(25,26)23-7-10-28-11-8-23/h3-6,13-15,24H,7-12H2,1-2H3,(H,21,22)
InChIKeyUUKPEGDRBJDEEP-UHFFFAOYSA-N
XLogP1.66
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol with MolForge

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Related Compounds

2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829206
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195220
5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine
CID 55827922
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
N-[1-(4-chlorophenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55501188
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
CID 9112932
2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
CID 51086959
N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17401125
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol (CID 55829205) is 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol is COc1cc(C(C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1OCCO.
What is the InChIKey of 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol?
The InChIKey is UUKPEGDRBJDEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c1-15(16-3-5-18(29-12-9-24)19(13-16)27-2)22-20-6-4-17(14-21-20)30(25,26)23-7-10-28-11-8-23/h3-6,13-15,24H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol?
2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol has a molecular weight of 437.52 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol is sourced from PubChem (CID 55829205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).