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

C19H28FN5O4S — CID 73292873

IUPAC(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C19H28FN5O4S/c1-14(2)18(19(26)22-27)25(30(28,29)17-8-6-15(3)7-9-17)12-11-24-13-16(21-23-24)5-4-10-20/h6-9,13-14,18,27H,4-5,10-12H2,1-3H3,(H,22,26)/t18-/m1/s1
InChIKeyXMVQXBAGOTVZDD-GOSISDBHSA-N
MW441.53 g/mol
LogP1.71
Rot. Bonds11

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

(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 73292873) has the molecular formula C19H28FN5O4S and a molecular weight of 441.53 g/mol. Its IUPAC name is (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID73292873
Molecular FormulaC19H28FN5O4S
Molecular Weight441.53 g/mol
Exact Mass441.18
IUPAC Name(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C19H28FN5O4S/c1-14(2)18(19(26)22-27)25(30(28,29)17-8-6-15(3)7-9-17)12-11-24-13-16(21-23-24)5-4-10-20/h6-9,13-14,18,27H,4-5,10-12H2,1-3H3,(H,22,26)/t18-/m1/s1
InChIKeyXMVQXBAGOTVZDD-GOSISDBHSA-N
XLogP1.71
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 73292873) is (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is Cc1ccc(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-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is XMVQXBAGOTVZDD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28FN5O4S/c1-14(2)18(19(26)22-27)25(30(28,29)17-8-6-15(3)7-9-17)12-11-24-13-16(21-23-24)5-4-10-20/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-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 441.53 g/mol, XLogP of 1.71, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl-(4-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 73292873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).