(2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide

C18H23FN2O3S — CID 87218849

IUPAC(2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide
SMILESCc1cc(O[C@H](CCCCN(C)c2cccs2)C(=O)NO)ccc1F
InChIInChI=1S/C18H23FN2O3S/c1-13-12-14(8-9-15(13)19)24-16(18(22)20-23)6-3-4-10-21(2)17-7-5-11-25-17/h5,7-9,11-12,16,23H,3-4,6,10H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyNELCEMZIPCNOMP-MRXNPFEDSA-N
MW366.46 g/mol
LogP3.76
Rot. Bonds9

About (2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide

(2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide (PubChem CID 87218849) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide
PubChem CID87218849
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name(2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide
SMILESCc1cc(O[C@H](CCCCN(C)c2cccs2)C(=O)NO)ccc1F
InChIInChI=1S/C18H23FN2O3S/c1-13-12-14(8-9-15(13)19)24-16(18(22)20-23)6-3-4-10-21(2)17-7-5-11-25-17/h5,7-9,11-12,16,23H,3-4,6,10H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyNELCEMZIPCNOMP-MRXNPFEDSA-N
XLogP3.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide?
The IUPAC name of (2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide (CID 87218849) is (2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide is Cc1cc(O[C@H](CCCCN(C)c2cccs2)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide?
The InChIKey is NELCEMZIPCNOMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-13-12-14(8-9-15(13)19)24-16(18(22)20-23)6-3-4-10-21(2)17-7-5-11-25-17/h5,7-9,11-12,16,23H,3-4,6,10H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide?
(2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide has a molecular weight of 366.46 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide is sourced from PubChem (CID 87218849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).