4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide

C19H24N2O4S — CID 2194745

IUPAC4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide
SMILESCCc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-15-5-9-17(10-6-15)25-14-13-20-19(22)16-7-11-18(12-8-16)26(23,24)21(2)3/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyHRSMJMCSBPWRRH-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.31
Rot. Bonds8

About 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide (PubChem CID 2194745) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide
PubChem CID2194745
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide
SMILESCCc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-15-5-9-17(10-6-15)25-14-13-20-19(22)16-7-11-18(12-8-16)26(23,24)21(2)3/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyHRSMJMCSBPWRRH-UHFFFAOYSA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide (CID 2194745) is 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide is CCc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide?
The InChIKey is HRSMJMCSBPWRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-15-5-9-17(10-6-15)25-14-13-20-19(22)16-7-11-18(12-8-16)26(23,24)21(2)3/h5-12H,4,13-14H2,1-3H3,(H,20,22).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide is sourced from PubChem (CID 2194745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).