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

C19H27F2N5O5S — CID 102341132

IUPAC(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCc1cn(CCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C19H27F2N5O5S/c1-14(2)18(19(27)23-28)26(10-7-15-13-25(11-8-20)24-22-15)32(29,30)17-5-3-16(4-6-17)31-12-9-21/h3-6,13-14,18,28H,7-12H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyUMKRPTUSMKLLMQ-GOSISDBHSA-N
MW475.52 g/mol
LogP1.36
Rot. Bonds13

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

(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide (PubChem CID 102341132) has the molecular formula C19H27F2N5O5S and a molecular weight of 475.52 g/mol. Its IUPAC name is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
PubChem CID102341132
Molecular FormulaC19H27F2N5O5S
Molecular Weight475.52 g/mol
Exact Mass475.17
IUPAC Name(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCc1cn(CCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C19H27F2N5O5S/c1-14(2)18(19(27)23-28)26(10-7-15-13-25(11-8-20)24-22-15)32(29,30)17-5-3-16(4-6-17)31-12-9-21/h3-6,13-14,18,28H,7-12H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyUMKRPTUSMKLLMQ-GOSISDBHSA-N
XLogP1.36
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 51.36
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-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide (CID 102341132) is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(CCc1cn(CCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1.
What is the InChIKey of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is UMKRPTUSMKLLMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27F2N5O5S/c1-14(2)18(19(27)23-28)26(10-7-15-13-25(11-8-20)24-22-15)32(29,30)17-5-3-16(4-6-17)31-12-9-21/h3-6,13-14,18,28H,7-12H2,1-2H3,(H,23,27)/t18-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 475.52 g/mol, XLogP of 1.36, 13 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-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 102341132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).