[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

C19H23N5O6S — CID 41379433

IUPAC[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2nccnc2N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N5O6S/c1-29-14-6-5-13(11-15(14)31(27,28)24-9-3-2-4-10-24)23-16(25)12-30-19(26)17-18(20)22-8-7-21-17/h5-8,11H,2-4,9-10,12H2,1H3,(H2,20,22)(H,23,25)
InChIKeyFSERYXWOEWBLJU-UHFFFAOYSA-N
MW449.49 g/mol
LogP1.04
Rot. Bonds7

About [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 41379433) has the molecular formula C19H23N5O6S and a molecular weight of 449.49 g/mol. Its IUPAC name is [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
PubChem CID41379433
Molecular FormulaC19H23N5O6S
Molecular Weight449.49 g/mol
Exact Mass449.14
IUPAC Name[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2nccnc2N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N5O6S/c1-29-14-6-5-13(11-15(14)31(27,28)24-9-3-2-4-10-24)23-16(25)12-30-19(26)17-18(20)22-8-7-21-17/h5-8,11H,2-4,9-10,12H2,1H3,(H2,20,22)(H,23,25)
InChIKeyFSERYXWOEWBLJU-UHFFFAOYSA-N
XLogP1.04
TPSA153.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 18776911
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18208868
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 42118835
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 42964549
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 42980856
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrazol-1-ylacetamide
CID 39723835
[2-(3-acetylanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 4675674
[2-(3-methoxyanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 55305639

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (CID 41379433) is [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is COc1ccc(NC(=O)COC(=O)c2nccnc2N)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is FSERYXWOEWBLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O6S/c1-29-14-6-5-13(11-15(14)31(27,28)24-9-3-2-4-10-24)23-16(25)12-30-19(26)17-18(20)22-8-7-21-17/h5-8,11H,2-4,9-10,12H2,1H3,(H2,20,22)(H,23,25).
What are the key properties of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 449.49 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 41379433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).