N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

C18H22N2O5S — CID 34677141

IUPACN-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-3-25-16-8-6-15(7-9-16)20-18(21)14-4-10-17(11-5-14)26(22,23)19-12-13-24-2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyLJVATZGOTGATCP-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.26
Rot. Bonds9

About N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 34677141) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID34677141
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-3-25-16-8-6-15(7-9-16)20-18(21)14-4-10-17(11-5-14)26(22,23)19-12-13-24-2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyLJVATZGOTGATCP-UHFFFAOYSA-N
XLogP2.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109059796
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 24584227
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 34677141) is N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is LJVATZGOTGATCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-25-16-8-6-15(7-9-16)20-18(21)14-4-10-17(11-5-14)26(22,23)19-12-13-24-2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 34677141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).