4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide

C21H21FN2O5S2 — CID 22505669

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide
SMILESCOc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)csc2CCCC(=O)NO)cc1F
InChIInChI=1S/C21H21FN2O5S2/c1-29-17-10-9-13(11-16(17)22)21-15(12-30-18(21)6-4-8-20(25)24-26)14-5-2-3-7-19(14)31(23,27)28/h2-3,5,7,9-12,26H,4,6,8H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyMDBYPJTUQQWFIH-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.71
Rot. Bonds8

About 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide

4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide (PubChem CID 22505669) has the molecular formula C21H21FN2O5S2 and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide
PubChem CID22505669
Molecular FormulaC21H21FN2O5S2
Molecular Weight464.54 g/mol
Exact Mass464.09
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide
SMILESCOc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)csc2CCCC(=O)NO)cc1F
InChIInChI=1S/C21H21FN2O5S2/c1-29-17-10-9-13(11-16(17)22)21-15(12-30-18(21)6-4-8-20(25)24-26)14-5-2-3-7-19(14)31(23,27)28/h2-3,5,7,9-12,26H,4,6,8H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyMDBYPJTUQQWFIH-UHFFFAOYSA-N
XLogP3.71
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide (CID 22505669) is 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide is COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)csc2CCCC(=O)NO)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide?
The InChIKey is MDBYPJTUQQWFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5S2/c1-29-17-10-9-13(11-16(17)22)21-15(12-30-18(21)6-4-8-20(25)24-26)14-5-2-3-7-19(14)31(23,27)28/h2-3,5,7,9-12,26H,4,6,8H2,1H3,(H,24,25)(H2,23,27,28).
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide?
4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide has a molecular weight of 464.54 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide is sourced from PubChem (CID 22505669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).