N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide

C19H22N2O5S — CID 46442034

IUPACN-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCOC)cc2)c1
InChIInChI=1S/C19H22N2O5S/c1-3-11-20-27(23,24)18-6-4-5-15(14-18)19(22)21-16-7-9-17(10-8-16)26-13-12-25-2/h3-10,14,20H,1,11-13H2,2H3,(H,21,22)
InChIKeyHLEKCIACEYURFZ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.43
Rot. Bonds10

About N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 46442034) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID46442034
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCOC)cc2)c1
InChIInChI=1S/C19H22N2O5S/c1-3-11-20-27(23,24)18-6-4-5-15(14-18)19(22)21-16-7-9-17(10-8-16)26-13-12-25-2/h3-10,14,20H,1,11-13H2,2H3,(H,21,22)
InChIKeyHLEKCIACEYURFZ-UHFFFAOYSA-N
XLogP2.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
4-(2-methoxyethoxy)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17353818
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 55348807
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26698278

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 46442034) is N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCOC)cc2)c1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is HLEKCIACEYURFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-11-20-27(23,24)18-6-4-5-15(14-18)19(22)21-16-7-9-17(10-8-16)26-13-12-25-2/h3-10,14,20H,1,11-13H2,2H3,(H,21,22).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 46442034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).