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

C20H26N2O4S — CID 38113944

IUPAC4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide
SMILESCCCc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-7-16-8-5-6-9-19(16)26-15-14-21-20(23)17-10-12-18(13-11-17)27(24,25)22(2)3/h5-6,8-13H,4,7,14-15H2,1-3H3,(H,21,23)
InChIKeySQCJJGKIALAZIG-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.70
Rot. Bonds9

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

4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide (PubChem CID 38113944) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide
PubChem CID38113944
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide
SMILESCCCc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-7-16-8-5-6-9-19(16)26-15-14-21-20(23)17-10-12-18(13-11-17)27(24,25)22(2)3/h5-6,8-13H,4,7,14-15H2,1-3H3,(H,21,23)
InChIKeySQCJJGKIALAZIG-UHFFFAOYSA-N
XLogP2.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.70
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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Related Compounds

4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
4-tert-butyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 99994651
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200
(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2603742
N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 18120892
4-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196852
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297875

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide (CID 38113944) is 4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide is CCCc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide?
The InChIKey is SQCJJGKIALAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-7-16-8-5-6-9-19(16)26-15-14-21-20(23)17-10-12-18(13-11-17)27(24,25)22(2)3/h5-6,8-13H,4,7,14-15H2,1-3H3,(H,21,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(2-propylphenoxy)ethyl]benzamide is sourced from PubChem (CID 38113944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).