methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate

C19H23N3O6S — CID 9112932

IUPACmethyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1OC
InChIInChI=1S/C19H23N3O6S/c1-26-17-5-3-14(11-16(17)19(23)27-2)12-20-18-6-4-15(13-21-18)29(24,25)22-7-9-28-10-8-22/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21)
InChIKeyHMMBAGIXXUELIY-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.51
Rot. Bonds7

About methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate

methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate (PubChem CID 9112932) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
PubChem CID9112932
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Namemethyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1OC
InChIInChI=1S/C19H23N3O6S/c1-26-17-5-3-14(11-16(17)19(23)27-2)12-20-18-6-4-15(13-21-18)29(24,25)22-7-9-28-10-8-22/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21)
InChIKeyHMMBAGIXXUELIY-UHFFFAOYSA-N
XLogP1.51
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate with MolForge

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Related Compounds

5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55638539
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
CID 9107417
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 55346754
5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine
CID 55627000
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
(2-oxo-2-pyrrolidin-1-ylethyl) 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 8543760
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829205

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate (CID 9112932) is methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate is COC(=O)c1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate?
The InChIKey is HMMBAGIXXUELIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-26-17-5-3-14(11-16(17)19(23)27-2)12-20-18-6-4-15(13-21-18)29(24,25)22-7-9-28-10-8-22/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate?
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate has a molecular weight of 421.48 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate is sourced from PubChem (CID 9112932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).