(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide

C19H24FN3O5S — CID 24742028

IUPAC(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C19H24FN3O5S/c1-14(2)18(19(24)22-25)23(13-15-4-3-10-21-12-15)29(26,27)17-7-5-16(6-8-17)28-11-9-20/h3-8,10,12,14,18,25H,9,11,13H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyPUBARVPHTAEUJQ-GOSISDBHSA-N
MW425.48 g/mol
LogP2.15
Rot. Bonds10

About (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide

(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide (PubChem CID 24742028) has the molecular formula C19H24FN3O5S and a molecular weight of 425.48 g/mol. Its IUPAC name is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
PubChem CID24742028
Molecular FormulaC19H24FN3O5S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC Name(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C19H24FN3O5S/c1-14(2)18(19(24)22-25)23(13-15-4-3-10-21-12-15)29(26,27)17-7-5-16(6-8-17)28-11-9-20/h3-8,10,12,14,18,25H,9,11,13H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyPUBARVPHTAEUJQ-GOSISDBHSA-N
XLogP2.15
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 52.15
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-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide (CID 24742028) is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OCCF)cc1.
What is the InChIKey of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is PUBARVPHTAEUJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24FN3O5S/c1-14(2)18(19(24)22-25)23(13-15-4-3-10-21-12-15)29(26,27)17-7-5-16(6-8-17)28-11-9-20/h3-8,10,12,14,18,25H,9,11,13H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 425.48 g/mol, XLogP of 2.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 24742028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).