4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

C20H22N4O3S — CID 4782656

IUPAC4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-15(16-4-8-18(9-5-16)24-13-12-21-14-24)22-20(25)17-6-10-19(11-7-17)28(26,27)23(2)3/h4-15H,1-3H3,(H,22,25)
InChIKeyAOFUCPBRKGHPND-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.61
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (PubChem CID 4782656) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
PubChem CID4782656
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-15(16-4-8-18(9-5-16)24-13-12-21-14-24)22-20(25)17-6-10-19(11-7-17)28(26,27)23(2)3/h4-15H,1-3H3,(H,22,25)
InChIKeyAOFUCPBRKGHPND-UHFFFAOYSA-N
XLogP2.61
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (CID 4782656) is 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is AOFUCPBRKGHPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-15(16-4-8-18(9-5-16)24-13-12-21-14-24)22-20(25)17-6-10-19(11-7-17)28(26,27)23(2)3/h4-15H,1-3H3,(H,22,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 398.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 4782656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).