(2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide

C22H30N4O5S — CID 18727198

IUPAC(2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H30N4O5S/c1-17(2)21(22(27)24-28)26(16-18-7-6-12-23-15-18)32(29,30)25-13-10-20(11-14-25)31-19-8-4-3-5-9-19/h3-9,12,15,17,20-21,28H,10-11,13-14,16H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyOBLYYKNCLJUBRK-OAQYLSRUSA-N
MW462.57 g/mol
LogP2.20
Rot. Bonds9

About (2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide

(2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide (PubChem CID 18727198) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide
PubChem CID18727198
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H30N4O5S/c1-17(2)21(22(27)24-28)26(16-18-7-6-12-23-15-18)32(29,30)25-13-10-20(11-14-25)31-19-8-4-3-5-9-19/h3-9,12,15,17,20-21,28H,10-11,13-14,16H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyOBLYYKNCLJUBRK-OAQYLSRUSA-N
XLogP2.20
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.20
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)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide (CID 18727198) is (2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide is CC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide?
The InChIKey is OBLYYKNCLJUBRK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-17(2)21(22(27)24-28)26(16-18-7-6-12-23-15-18)32(29,30)25-13-10-20(11-14-25)31-19-8-4-3-5-9-19/h3-9,12,15,17,20-21,28H,10-11,13-14,16H2,1-2H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide has a molecular weight of 462.57 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide is sourced from PubChem (CID 18727198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).