(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide

C19H28FN5O5S — CID 73292711

IUPAC(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C19H28FN5O5S/c1-14(2)18(19(26)22-27)25(12-11-24-13-15(21-23-24)5-4-10-20)31(28,29)17-8-6-16(30-3)7-9-17/h6-9,13-14,18,27H,4-5,10-12H2,1-3H3,(H,22,26)/t18-/m1/s1
InChIKeyMFOJAATVHNHXKB-GOSISDBHSA-N
MW457.53 g/mol
LogP1.41
Rot. Bonds12

About (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 73292711) has the molecular formula C19H28FN5O5S and a molecular weight of 457.53 g/mol. Its IUPAC name is (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID73292711
Molecular FormulaC19H28FN5O5S
Molecular Weight457.53 g/mol
Exact Mass457.18
IUPAC Name(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C19H28FN5O5S/c1-14(2)18(19(26)22-27)25(12-11-24-13-15(21-23-24)5-4-10-20)31(28,29)17-8-6-16(30-3)7-9-17/h6-9,13-14,18,27H,4-5,10-12H2,1-3H3,(H,22,26)/t18-/m1/s1
InChIKeyMFOJAATVHNHXKB-GOSISDBHSA-N
XLogP1.41
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 51.41
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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Related Compounds

(2R)-2-[[1-(2-fluoroethyl)triazol-4-yl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 57523576
(2R)-2-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 57523578
2-[2-[2-[2-[4-[[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 57523577
(2R)-2-[[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 57523641
(2R)-2-[[1-[(2R,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 70690777
(2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 73292869
(2R)-2-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 73292871
(2R)-2-[2-[4-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 73292872
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
CID 73293036
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
CID 73293196
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
CID 73293197
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[[1-(2-fluoroethyl)triazol-4-yl]methyl]amino]-N-hydroxy-3-methylbutanamide
CID 73293198

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 73292711) is (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is COc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1.
What is the InChIKey of (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is MFOJAATVHNHXKB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28FN5O5S/c1-14(2)18(19(26)22-27)25(12-11-24-13-15(21-23-24)5-4-10-20)31(28,29)17-8-6-16(30-3)7-9-17/h6-9,13-14,18,27H,4-5,10-12H2,1-3H3,(H,22,26)/t18-/m1/s1.
What are the key properties of (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 457.53 g/mol, XLogP of 1.41, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 73292711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).