[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C20H22ClN3O6S — CID 2096878

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H22ClN3O6S/c21-16-4-7-18(22-13-16)23-19(25)14-30-20(26)8-3-15-1-5-17(6-2-15)31(27,28)24-9-11-29-12-10-24/h1-2,4-7,13H,3,8-12,14H2,(H,22,23,25)
InChIKeyGQHGLXNBBCWJGE-UHFFFAOYSA-N
MW467.93 g/mol
LogP1.87
Rot. Bonds8

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 2096878) has the molecular formula C20H22ClN3O6S and a molecular weight of 467.93 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID2096878
Molecular FormulaC20H22ClN3O6S
Molecular Weight467.93 g/mol
Exact Mass467.09
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H22ClN3O6S/c21-16-4-7-18(22-13-16)23-19(25)14-30-20(26)8-3-15-1-5-17(6-2-15)31(27,28)24-9-11-29-12-10-24/h1-2,4-7,13H,3,8-12,14H2,(H,22,23,25)
InChIKeyGQHGLXNBBCWJGE-UHFFFAOYSA-N
XLogP1.87
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate with MolForge

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Related Compounds

N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
CID 2477493
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4855756
3-(4-Methylphenyl)sulfonylpropanoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester
CID 2079202
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2085057
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4060527
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 4785334
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4853275
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4853299
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 24980615
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 2-phenylbutanoate
CID 16528426
N-(5-Chloro-pyridin-2-yl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1105139

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 2096878) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is GQHGLXNBBCWJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O6S/c21-16-4-7-18(22-13-16)23-19(25)14-30-20(26)8-3-15-1-5-17(6-2-15)31(27,28)24-9-11-29-12-10-24/h1-2,4-7,13H,3,8-12,14H2,(H,22,23,25).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 467.93 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 2096878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).