(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide

C18H25F2N5O5S — CID 73293198

IUPAC(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cn(CCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C18H25F2N5O5S/c1-13(2)17(18(26)22-27)25(12-14-11-24(9-7-19)23-21-14)31(28,29)16-5-3-15(4-6-16)30-10-8-20/h3-6,11,13,17,27H,7-10,12H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyVPDOXKSDXTZFIX-QGZVFWFLSA-N
MW461.49 g/mol
LogP1.32
Rot. Bonds12

About (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide

(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide (PubChem CID 73293198) has the molecular formula C18H25F2N5O5S and a molecular weight of 461.49 g/mol. Its IUPAC name is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide
PubChem CID73293198
Molecular FormulaC18H25F2N5O5S
Molecular Weight461.49 g/mol
Exact Mass461.15
IUPAC Name(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cn(CCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C18H25F2N5O5S/c1-13(2)17(18(26)22-27)25(12-14-11-24(9-7-19)23-21-14)31(28,29)16-5-3-15(4-6-16)30-10-8-20/h3-6,11,13,17,27H,7-10,12H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyVPDOXKSDXTZFIX-QGZVFWFLSA-N
XLogP1.32
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide (CID 73293198) is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(Cc1cn(CCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1.
What is the InChIKey of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is VPDOXKSDXTZFIX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25F2N5O5S/c1-13(2)17(18(26)22-27)25(12-14-11-24(9-7-19)23-21-14)31(28,29)16-5-3-15(4-6-16)30-10-8-20/h3-6,11,13,17,27H,7-10,12H2,1-2H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 461.49 g/mol, XLogP of 1.32, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 73293198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).