N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide

C22H24N2O5S2 — CID 87973571

IUPACN-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)csc2CCCC(=O)N(C)O)cc1
InChIInChI=1S/C22H24N2O5S2/c1-24(26)21(25)5-3-4-20-22(16-6-10-17(29-2)11-7-16)19(14-30-20)15-8-12-18(13-9-15)31(23,27)28/h6-14,26H,3-5H2,1-2H3,(H2,23,27,28)
InChIKeyMISWCCPLKQEOTR-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.91
Rot. Bonds8

About N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide

N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide (PubChem CID 87973571) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide
PubChem CID87973571
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC NameN-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)csc2CCCC(=O)N(C)O)cc1
InChIInChI=1S/C22H24N2O5S2/c1-24(26)21(25)5-3-4-20-22(16-6-10-17(29-2)11-7-16)19(14-30-20)15-8-12-18(13-9-15)31(23,27)28/h6-14,26H,3-5H2,1-2H3,(H2,23,27,28)
InChIKeyMISWCCPLKQEOTR-UHFFFAOYSA-N
XLogP3.91
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.91
H-Bond Donors ≤ 52
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 N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide?
The IUPAC name of N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide (CID 87973571) is N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide.
What is the SMILES notation for N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide?
The canonical SMILES for N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide is COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)csc2CCCC(=O)N(C)O)cc1.
What is the InChIKey of N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide?
The InChIKey is MISWCCPLKQEOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S2/c1-24(26)21(25)5-3-4-20-22(16-6-10-17(29-2)11-7-16)19(14-30-20)15-8-12-18(13-9-15)31(23,27)28/h6-14,26H,3-5H2,1-2H3,(H2,23,27,28).
What are the key properties of N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide?
N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide has a molecular weight of 460.58 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide is sourced from PubChem (CID 87973571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).