5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide

C20H23ClN4O5S — CID 135507290

IUPAC5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(C(=O)NO)cn2)cc1Cl
InChIInChI=1S/C20H23ClN4O5S/c1-31(29,30)17-7-6-13(9-15(17)21)14(8-12-4-2-3-5-12)19(26)24-18-11-22-16(10-23-18)20(27)25-28/h6-7,9-12,14,28H,2-5,8H2,1H3,(H,25,27)(H,23,24,26)/t14-/m1/s1
InChIKeyCCXZTCBMMQQVHU-CQSZACIVSA-N
MW466.95 g/mol
LogP2.96
Rot. Bonds7

About 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide

5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide (PubChem CID 135507290) has the molecular formula C20H23ClN4O5S and a molecular weight of 466.95 g/mol. Its IUPAC name is 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide
PubChem CID135507290
Molecular FormulaC20H23ClN4O5S
Molecular Weight466.95 g/mol
Exact Mass466.11
IUPAC Name5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(C(=O)NO)cn2)cc1Cl
InChIInChI=1S/C20H23ClN4O5S/c1-31(29,30)17-7-6-13(9-15(17)21)14(8-12-4-2-3-5-12)19(26)24-18-11-22-16(10-23-18)20(27)25-28/h6-7,9-12,14,28H,2-5,8H2,1H3,(H,25,27)(H,23,24,26)/t14-/m1/s1
InChIKeyCCXZTCBMMQQVHU-CQSZACIVSA-N
XLogP2.96
TPSA138.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide?
The IUPAC name of 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide (CID 135507290) is 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide is CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(C(=O)NO)cn2)cc1Cl.
What is the InChIKey of 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide?
The InChIKey is CCXZTCBMMQQVHU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23ClN4O5S/c1-31(29,30)17-7-6-13(9-15(17)21)14(8-12-4-2-3-5-12)19(26)24-18-11-22-16(10-23-18)20(27)25-28/h6-7,9-12,14,28H,2-5,8H2,1H3,(H,25,27)(H,23,24,26)/t14-/m1/s1.
What are the key properties of 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide?
5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]-N-hydroxypyrazine-2-carboxamide is sourced from PubChem (CID 135507290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).