3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide

C20H19ClN2O4S2 — CID 22505697

IUPAC3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CCc1scc(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O4S2/c1-23(25)19(24)11-10-17-20(13-6-8-14(21)9-7-13)16(12-28-17)15-4-2-3-5-18(15)29(22,26)27/h2-9,12,25H,10-11H2,1H3,(H2,22,26,27)
InChIKeySSWBHUJLVBENQK-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.16
Rot. Bonds6

About 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide

3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide (PubChem CID 22505697) has the molecular formula C20H19ClN2O4S2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide
PubChem CID22505697
Molecular FormulaC20H19ClN2O4S2
Molecular Weight450.97 g/mol
Exact Mass450.05
IUPAC Name3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CCc1scc(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O4S2/c1-23(25)19(24)11-10-17-20(13-6-8-14(21)9-7-13)16(12-28-17)15-4-2-3-5-18(15)29(22,26)27/h2-9,12,25H,10-11H2,1H3,(H2,22,26,27)
InChIKeySSWBHUJLVBENQK-UHFFFAOYSA-N
XLogP4.16
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide (CID 22505697) is 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide is CN(O)C(=O)CCc1scc(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide?
The InChIKey is SSWBHUJLVBENQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S2/c1-23(25)19(24)11-10-17-20(13-6-8-14(21)9-7-13)16(12-28-17)15-4-2-3-5-18(15)29(22,26)27/h2-9,12,25H,10-11H2,1H3,(H2,22,26,27).
What are the key properties of 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide?
3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide has a molecular weight of 450.97 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide is sourced from PubChem (CID 22505697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).