4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide

C22H22FNO3S — CID 59704063

IUPAC4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide
SMILESCOc1ccc(-c2cc(CCCC(=O)N(C)O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO3S/c1-24(26)21(25)5-3-4-19-14-20(15-8-12-18(27-2)13-9-15)22(28-19)16-6-10-17(23)11-7-16/h6-14,26H,3-5H2,1-2H3
InChIKeyAEECQTFZTHKZKZ-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.40
Rot. Bonds7

About 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide

4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide (PubChem CID 59704063) has the molecular formula C22H22FNO3S and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide
PubChem CID59704063
Molecular FormulaC22H22FNO3S
Molecular Weight399.49 g/mol
Exact Mass399.13
IUPAC Name4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide
SMILESCOc1ccc(-c2cc(CCCC(=O)N(C)O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO3S/c1-24(26)21(25)5-3-4-19-14-20(15-8-12-18(27-2)13-9-15)22(28-19)16-6-10-17(23)11-7-16/h6-14,26H,3-5H2,1-2H3
InChIKeyAEECQTFZTHKZKZ-UHFFFAOYSA-N
XLogP5.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

S-19812
CID 5744460
N-hydroxy-N-methyl 4-(2,3-bis-(4-methoxyphenyl)-thiophen-5-yl)butanamide
CID 44144969
3-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide
CID 22505322
4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide
CID 22505669
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide
CID 23372721
1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N,N-dimethylmethanamine
CID 23372730
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 23372838
4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide
CID 23514170
1-(4-Acetyl-piperazin-1-yl)-3-[5-(4-trifluoromethoxy-phenyl)-thiophen-2-yl]-propan-1-one
CID 24946901
N-cyclohexyl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propanamide
CID 24947077
1-Piperidin-1-yl-3-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]propan-1-one
CID 24947078
5-(4-Fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide
CID 57302374

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide (CID 59704063) is 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide is COc1ccc(-c2cc(CCCC(=O)N(C)O)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide?
The InChIKey is AEECQTFZTHKZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3S/c1-24(26)21(25)5-3-4-19-14-20(15-8-12-18(27-2)13-9-15)22(28-19)16-6-10-17(23)11-7-16/h6-14,26H,3-5H2,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide?
4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide has a molecular weight of 399.49 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide is sourced from PubChem (CID 59704063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).