4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

C20H22N4O3S — CID 34906685

IUPAC4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-23(2)28(26,27)19-9-7-18(8-10-19)20(25)22-13-16-3-5-17(6-4-16)14-24-12-11-21-15-24/h3-12,15H,13-14H2,1-2H3,(H,22,25)
InChIKeyVWIQRVBIGNKOSV-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.11
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 34906685) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID34906685
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-23(2)28(26,27)19-9-7-18(8-10-19)20(25)22-13-16-3-5-17(6-4-16)14-24-12-11-21-15-24/h3-12,15H,13-14H2,1-2H3,(H,22,25)
InChIKeyVWIQRVBIGNKOSV-UHFFFAOYSA-N
XLogP2.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43917946
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859038
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55721630
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (CID 34906685) is 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is VWIQRVBIGNKOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-23(2)28(26,27)19-9-7-18(8-10-19)20(25)22-13-16-3-5-17(6-4-16)14-24-12-11-21-15-24/h3-12,15H,13-14H2,1-2H3,(H,22,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 398.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 34906685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).