[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate

C22H27N5O6S — CID 55701615

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(c2ncccn2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N5O6S/c28-20(16-33-21(29)17-6-10-26(11-7-17)22-23-8-1-9-24-22)25-18-2-4-19(5-3-18)34(30,31)27-12-14-32-15-13-27/h1-5,8-9,17H,6-7,10-16H2,(H,25,28)
InChIKeyXMJYFBAPLLBQGY-UHFFFAOYSA-N
MW489.55 g/mol
LogP0.90
Rot. Bonds7

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate (PubChem CID 55701615) has the molecular formula C22H27N5O6S and a molecular weight of 489.55 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
PubChem CID55701615
Molecular FormulaC22H27N5O6S
Molecular Weight489.55 g/mol
Exact Mass489.17
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(c2ncccn2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N5O6S/c28-20(16-33-21(29)17-6-10-26(11-7-17)22-23-8-1-9-24-22)25-18-2-4-19(5-3-18)34(30,31)27-12-14-32-15-13-27/h1-5,8-9,17H,6-7,10-16H2,(H,25,28)
InChIKeyXMJYFBAPLLBQGY-UHFFFAOYSA-N
XLogP0.90
TPSA131.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 23961153
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] cyclohexanecarboxylate
CID 4036102
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23855200
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55758856
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701609
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate (CID 55701615) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate is O=C(COC(=O)C1CCN(c2ncccn2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The InChIKey is XMJYFBAPLLBQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O6S/c28-20(16-33-21(29)17-6-10-26(11-7-17)22-23-8-1-9-24-22)25-18-2-4-19(5-3-18)34(30,31)27-12-14-32-15-13-27/h1-5,8-9,17H,6-7,10-16H2,(H,25,28).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate has a molecular weight of 489.55 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 55701615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).