5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide

C22H22ClNO5S — CID 24524461

IUPAC5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
SMILESO=C(NCCCCOc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C22H22ClNO5S/c23-17-8-10-18(11-9-17)28-15-5-4-14-24-22(25)21-13-12-19(29-21)16-30(26,27)20-6-2-1-3-7-20/h1-3,6-13H,4-5,14-16H2,(H,24,25)
InChIKeyVZIHPIJBTYSUDC-UHFFFAOYSA-N
MW447.94 g/mol
LogP4.50
Rot. Bonds10

About 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide (PubChem CID 24524461) has the molecular formula C22H22ClNO5S and a molecular weight of 447.94 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
PubChem CID24524461
Molecular FormulaC22H22ClNO5S
Molecular Weight447.94 g/mol
Exact Mass447.09
IUPAC Name5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
SMILESO=C(NCCCCOc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C22H22ClNO5S/c23-17-8-10-18(11-9-17)28-15-5-4-14-24-22(25)21-13-12-19(29-21)16-30(26,27)20-6-2-1-3-7-20/h1-3,6-13H,4-5,14-16H2,(H,24,25)
InChIKeyVZIHPIJBTYSUDC-UHFFFAOYSA-N
XLogP4.50
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 46513558
5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 4104667
5-[(4-chlorophenyl)sulfonylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide
CID 4104659
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 18286334
N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50950921
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
CID 19415422
5-(benzenesulfonylmethyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
CID 27812757
5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 55727924

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide (CID 24524461) is 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide is O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide?
The InChIKey is VZIHPIJBTYSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO5S/c23-17-8-10-18(11-9-17)28-15-5-4-14-24-22(25)21-13-12-19(29-21)16-30(26,27)20-6-2-1-3-7-20/h1-3,6-13H,4-5,14-16H2,(H,24,25).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide is sourced from PubChem (CID 24524461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).