2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate

C19H21N3O6S — CID 655771

IUPAC2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(NCCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1
InChIInChI=1S/C19H21N3O6S/c23-18(16-2-1-7-20-14-16)21-8-11-28-19(24)15-3-5-17(6-4-15)29(25,26)22-9-12-27-13-10-22/h1-7,14H,8-13H2,(H,21,23)
InChIKeyPUPAFNJWTDZZOO-UHFFFAOYSA-N
MW419.46 g/mol
LogP0.69
Rot. Bonds7

About 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate

2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 655771) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate
PubChem CID655771
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(NCCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1
InChIInChI=1S/C19H21N3O6S/c23-18(16-2-1-7-20-14-16)21-8-11-28-19(24)15-3-5-17(6-4-15)29(25,26)22-9-12-27-13-10-22/h1-7,14H,8-13H2,(H,21,23)
InChIKeyPUPAFNJWTDZZOO-UHFFFAOYSA-N
XLogP0.69
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2~{s})-1-(Phenylmethyl)sulfonylpiperidin-2-Yl]carbonyloxyethyl Pyridine-3-Carboxylate
CID 127021000
2-(pyridin-3-ylcarbonylamino)ethyl (2~{S})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate
CID 134135285
Ethyl 4-[4-(pyridine-2-carbonyl)piperazin-1-yl]sulfonylbenzoate
CID 2107828
3-(Pyridin-4-yl)propyl 4-(morpholinosulfonyl)benzoate
CID 1918147
2-(Pyridine-4-carbonylamino)ethyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 2093658
2-methyl-5-(4-morpholinylsulfonyl)-N-(3-pyridinylmethyl)benzamide
CID 2097535
[2-[(2-Chloro-3-pyridinyl)amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 4984225
Methyl 2-[4-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 9414405
Bis[2-(pyridine-3-carbonylamino)ethyl] benzene-1,2-dicarboxylate;hydrochloride
CID 9552005
[(2S)-1-(pyridine-3-carbonylamino)propan-2-yl] (2S)-1-benzylsulfonylpiperidine-2-carboxylate
CID 134133623
[(2R)-1-(pyridine-3-carbonylamino)propan-2-yl] (2S)-1-benzylsulfonylpiperidine-2-carboxylate
CID 134139261
Ethyl 4-({4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}sulfonyl)benzoate
CID 2520057

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate (CID 655771) is 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate is O=C(NCCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1.
What is the InChIKey of 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is PUPAFNJWTDZZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c23-18(16-2-1-7-20-14-16)21-8-11-28-19(24)15-3-5-17(6-4-15)29(25,26)22-9-12-27-13-10-22/h1-7,14H,8-13H2,(H,21,23).
What are the key properties of 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate?
2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 419.46 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carbonylamino)ethyl 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 655771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).