(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide

C20H27FN2O3S — CID 87136092

IUPAC(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide
SMILESCO[C@H](C[C@H](CCCCN(C)c1cccs1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C20H27FN2O3S/c1-23(19-7-5-13-27-19)12-4-3-6-16(20(24)22-25)14-18(26-2)15-8-10-17(21)11-9-15/h5,7-11,13,16,18,25H,3-4,6,12,14H2,1-2H3,(H,22,24)/t16-,18+/m0/s1
InChIKeyFZDAUVBQBGEYOB-FUHWJXTLSA-N
MW394.51 g/mol
LogP4.39
Rot. Bonds11

About (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide

(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide (PubChem CID 87136092) has the molecular formula C20H27FN2O3S and a molecular weight of 394.51 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide
PubChem CID87136092
Molecular FormulaC20H27FN2O3S
Molecular Weight394.51 g/mol
Exact Mass394.17
IUPAC Name(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide
SMILESCO[C@H](C[C@H](CCCCN(C)c1cccs1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C20H27FN2O3S/c1-23(19-7-5-13-27-19)12-4-3-6-16(20(24)22-25)14-18(26-2)15-8-10-17(21)11-9-15/h5,7-11,13,16,18,25H,3-4,6,12,14H2,1-2H3,(H,22,24)/t16-,18+/m0/s1
InChIKeyFZDAUVBQBGEYOB-FUHWJXTLSA-N
XLogP4.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.39
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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Related Compounds

(2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 87596608
(2R)-2-(4-fluoro-3-methylphenoxy)-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide
CID 87218849
(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-6-hydroxyhexanoic acid
CID 139490254
(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 52946921
(5S,7R)-5-acetyl-7-(4-fluorophenyl)-7-methoxyheptanal
CID 59568886
N-[(3S)-3-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-methoxypent-4-enyl]-N-phenylaniline
CID 70288235
methyl (4R)-4-(4-fluorophenyl)-4-methoxy-2-(2-oxoethyl)butanoate
CID 87136249
(2S)-6-[(5-chloro-2-pyridinyl)methyl-ethylamino]-2-[(2R)-2-(3,4-dimethylphenyl)-2-methoxyethyl]-N-hydroxyhexanamide
CID 164955461
1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine
CID 115205209
methyl 4-(4-fluorophenyl)-4-methoxy-2-(2-piperazin-1-ylethyl)butanoate
CID 66754829
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide?
The IUPAC name of (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide (CID 87136092) is (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide.
What is the SMILES notation for (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide?
The canonical SMILES for (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide is CO[C@H](C[C@H](CCCCN(C)c1cccs1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide?
The InChIKey is FZDAUVBQBGEYOB-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H27FN2O3S/c1-23(19-7-5-13-27-19)12-4-3-6-16(20(24)22-25)14-18(26-2)15-8-10-17(21)11-9-15/h5,7-11,13,16,18,25H,3-4,6,12,14H2,1-2H3,(H,22,24)/t16-,18+/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide?
(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide has a molecular weight of 394.51 g/mol, XLogP of 4.39, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-[methyl(thiophen-2-yl)amino]hexanamide is sourced from PubChem (CID 87136092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).