5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide

C22H22N2O5S — CID 35336566

IUPAC5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C22H22N2O5S/c1-2-5-17-6-3-4-7-20(17)28-15-18-10-13-21(29-18)22(25)24-14-16-8-11-19(12-9-16)30(23,26)27/h2-4,6-13H,1,5,14-15H2,(H,24,25)(H2,23,26,27)
InChIKeyXKQHRLSXUJUNTB-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.16
Rot. Bonds9

About 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide

5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide (PubChem CID 35336566) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide
PubChem CID35336566
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C22H22N2O5S/c1-2-5-17-6-3-4-7-20(17)28-15-18-10-13-21(29-18)22(25)24-14-16-8-11-19(12-9-16)30(23,26)27/h2-4,6-13H,1,5,14-15H2,(H,24,25)(H2,23,26,27)
InChIKeyXKQHRLSXUJUNTB-UHFFFAOYSA-N
XLogP3.16
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 95756196
N-[(1-methylpyrazol-4-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292377
N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448799
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292580
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19294282
N-(4-nitrophenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448726
N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19327822
N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448810
N-(3-methoxyphenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448770
N-(1-benzylpyrazol-3-yl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19286216
1-methyl-4-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19406103
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826

Frequently Asked Questions

What is the IUPAC name of 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide (CID 35336566) is 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide is C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide?
The InChIKey is XKQHRLSXUJUNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-2-5-17-6-3-4-7-20(17)28-15-18-10-13-21(29-18)22(25)24-14-16-8-11-19(12-9-16)30(23,26)27/h2-4,6-13H,1,5,14-15H2,(H,24,25)(H2,23,26,27).
What are the key properties of 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide?
5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 35336566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).