About (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
(2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide (PubChem CID 10322924) has the molecular formula C21H25ClN4O5S
and a molecular weight of 480.97 g/mol. Its IUPAC name is (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide.
Molecular Properties
| Compound Name | (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide |
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| PubChem CID | 10322924 |
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| Molecular Formula | C21H25ClN4O5S |
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| Molecular Weight | 480.97 g/mol |
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| Exact Mass | 480.12 |
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| IUPAC Name | (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide |
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| SMILES | CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(C(O)C(N)=O)cn2)cc1Cl |
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| InChI | InChI=1S/C21H25ClN4O5S/c1-32(30,31)17-7-6-13(9-15(17)22)14(8-12-4-2-3-5-12)21(29)26-18-11-24-16(10-25-18)19(27)20(23)28/h6-7,9-12,14,19,27H,2-5,8H2,1H3,(H2,23,28)(H,25,26,29)/t14-,19?/m1/s1 |
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| InChIKey | DHTQDLARMJZTRI-MJTSIZKDSA-N |
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| XLogP | 2.35 |
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| TPSA | 152.34 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 480.97 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide?
The IUPAC name of (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide (CID 10322924) is (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide.
What is the SMILES notation for (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide?
The canonical SMILES for (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide is CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(C(O)C(N)=O)cn2)cc1Cl.
What is the InChIKey of (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide?
The InChIKey is DHTQDLARMJZTRI-MJTSIZKDSA-N. The full InChI is InChI=1S/C21H25ClN4O5S/c1-32(30,31)17-7-6-13(9-15(17)22)14(8-12-4-2-3-5-12)21(29)26-18-11-24-16(10-25-18)19(27)20(23)28/h6-7,9-12,14,19,27H,2-5,8H2,1H3,(H2,23,28)(H,25,26,29)/t14-,19?/m1/s1.
What are the key properties of (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide?
(2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide has a molecular weight of 480.97 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 10322924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).