[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C21H25N3O7S — CID 3416008

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C21H25N3O7S/c1-3-30-20-17(5-4-8-22-20)21(26)31-14-19(25)23-18-13-16(7-6-15(18)2)32(27,28)24-9-11-29-12-10-24/h4-8,13H,3,9-12,14H2,1-2H3,(H,23,25)
InChIKeyFKYCMUGZUKDOOM-UHFFFAOYSA-N
MW463.51 g/mol
LogP1.61
Rot. Bonds8

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 3416008) has the molecular formula C21H25N3O7S and a molecular weight of 463.51 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID3416008
Molecular FormulaC21H25N3O7S
Molecular Weight463.51 g/mol
Exact Mass463.14
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C21H25N3O7S/c1-3-30-20-17(5-4-8-22-20)21(26)31-14-19(25)23-18-13-16(7-6-15(18)2)32(27,28)24-9-11-29-12-10-24/h4-8,13H,3,9-12,14H2,1-2H3,(H,23,25)
InChIKeyFKYCMUGZUKDOOM-UHFFFAOYSA-N
XLogP1.61
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(aminosulfonyl)phenyl]-2-phenoxynicotinamide
CID 2812916
[2-(Benzylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2346507
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 4215262
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 4246418
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 5035879
2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 2084510
[2-(2,6-Dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2335905
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2338165
[2-Oxo-2-(2,4,6-trimethylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2355175
[2-(2,5-Dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2433099
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2575709
{[2-Methyl-5-(morpholine-4-sulfonyl)phenyl]carbamoyl}methyl 5,6-dichloropyridine-3-carboxylate
CID 3561878

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 3416008) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is FKYCMUGZUKDOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7S/c1-3-30-20-17(5-4-8-22-20)21(26)31-14-19(25)23-18-13-16(7-6-15(18)2)32(27,28)24-9-11-29-12-10-24/h4-8,13H,3,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 463.51 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 3416008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).