(2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide

C20H25N3O5S — CID 20683090

IUPAC(2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide
SMILESCN([C@@H](C(=O)NO)C1CCCCC1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-23(19(20(24)22-25)15-5-3-2-4-6-15)29(26,27)18-9-7-16(8-10-18)28-17-11-13-21-14-12-17/h7-15,19,25H,2-6H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyUQROZPNRMMTMKY-LJQANCHMSA-N
MW419.50 g/mol
LogP2.95
Rot. Bonds7

About (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide

(2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide (PubChem CID 20683090) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide
PubChem CID20683090
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name(2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide
SMILESCN([C@@H](C(=O)NO)C1CCCCC1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-23(19(20(24)22-25)15-5-3-2-4-6-15)29(26,27)18-9-7-16(8-10-18)28-17-11-13-21-14-12-17/h7-15,19,25H,2-6H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyUQROZPNRMMTMKY-LJQANCHMSA-N
XLogP2.95
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide?
The IUPAC name of (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide (CID 20683090) is (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide is CN([C@@H](C(=O)NO)C1CCCCC1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide?
The InChIKey is UQROZPNRMMTMKY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-23(19(20(24)22-25)15-5-3-2-4-6-15)29(26,27)18-9-7-16(8-10-18)28-17-11-13-21-14-12-17/h7-15,19,25H,2-6H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide?
(2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide has a molecular weight of 419.50 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-N-hydroxy-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 20683090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).