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

C21H21FN2O5S2 — CID 87973585

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)csc2CCCC(=O)NO)cc1F
InChIInChI=1S/C21H21FN2O5S2/c1-29-18-10-7-14(11-17(18)22)21-16(12-30-19(21)3-2-4-20(25)24-26)13-5-8-15(9-6-13)31(23,27)28/h5-12,26H,2-4H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyFIHJCSQTRRPMKE-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.71
Rot. Bonds8

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

4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide (PubChem CID 87973585) 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-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide
PubChem CID87973585
Molecular FormulaC21H21FN2O5S2
Molecular Weight464.54 g/mol
Exact Mass464.09
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)csc2CCCC(=O)NO)cc1F
InChIInChI=1S/C21H21FN2O5S2/c1-29-18-10-7-14(11-17(18)22)21-16(12-30-19(21)3-2-4-20(25)24-26)13-5-8-15(9-6-13)31(23,27)28/h5-12,26H,2-4H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyFIHJCSQTRRPMKE-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide (CID 87973585) is 4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide is COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)csc2CCCC(=O)NO)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide?
The InChIKey is FIHJCSQTRRPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5S2/c1-29-18-10-7-14(11-17(18)22)21-16(12-30-19(21)3-2-4-20(25)24-26)13-5-8-15(9-6-13)31(23,27)28/h5-12,26H,2-4H2,1H3,(H,24,25)(H2,23,27,28).
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide?
4-[3-(3-fluoro-4-methoxyphenyl)-4-(4-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-(4-sulfamoylphenyl)thiophen-2-yl]-N-hydroxybutanamide is sourced from PubChem (CID 87973585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).