N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide

C19H22N2O4S — CID 27859389

IUPACN-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCOc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-11-21-26(23,24)18-9-7-16(8-10-18)19(22)20-12-13-25-17-6-4-5-15(2)14-17/h3-10,14,21H,1,11-13H2,2H3,(H,20,22)
InChIKeyIUMMLFBEVTVISW-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.27
Rot. Bonds9

About N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 27859389) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID27859389
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCOc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-11-21-26(23,24)18-9-7-16(8-10-18)19(22)20-12-13-25-17-6-4-5-15(2)14-17/h3-10,14,21H,1,11-13H2,2H3,(H,20,22)
InChIKeyIUMMLFBEVTVISW-UHFFFAOYSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 55706676
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30853178
4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27021904
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
N-[2-(3-bromophenoxy)ethyl]-4-(methylsulfamoyl)benzamide
CID 55976141
5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27859379
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 43017529
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 27859389) is N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCCOc2cccc(C)c2)cc1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is IUMMLFBEVTVISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-11-21-26(23,24)18-9-7-16(8-10-18)19(22)20-12-13-25-17-6-4-5-15(2)14-17/h3-10,14,21H,1,11-13H2,2H3,(H,20,22).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 27859389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).