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

C21H29N3O5S — CID 55829206

IUPAC2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)ccc1OCCO
InChIInChI=1S/C21H29N3O5S/c1-16(17-6-8-19(29-13-12-25)20(14-17)28-2)23-21-9-7-18(15-22-21)30(26,27)24-10-4-3-5-11-24/h6-9,14-16,25H,3-5,10-13H2,1-2H3,(H,22,23)
InChIKeyOJIJASMDHCPLEU-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.81
Rot. Bonds9

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

2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol (PubChem CID 55829206) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
PubChem CID55829206
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)ccc1OCCO
InChIInChI=1S/C21H29N3O5S/c1-16(17-6-8-19(29-13-12-25)20(14-17)28-2)23-21-9-7-18(15-22-21)30(26,27)24-10-4-3-5-11-24/h6-9,14-16,25H,3-5,10-13H2,1-2H3,(H,22,23)
InChIKeyOJIJASMDHCPLEU-UHFFFAOYSA-N
XLogP2.81
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829205
5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine
CID 55827922
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133350405
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
CID 4792805
2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
CID 51086959
2-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30395314
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552166
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873697
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133291954
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol (CID 55829206) is 2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol is COc1cc(C(C)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)ccc1OCCO.
What is the InChIKey of 2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol?
The InChIKey is OJIJASMDHCPLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-16(17-6-8-19(29-13-12-25)20(14-17)28-2)23-21-9-7-18(15-22-21)30(26,27)24-10-4-3-5-11-24/h6-9,14-16,25H,3-5,10-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol?
2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol has a molecular weight of 435.55 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol is sourced from PubChem (CID 55829206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).