3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C22H26N4O3S — CID 55812362

IUPAC3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cn3cccn3)cc2)ccc1C
InChIInChI=1S/C22H26N4O3S/c1-4-26(5-2)30(28,29)21-15-19(10-7-17(21)3)22(27)24-20-11-8-18(9-12-20)16-25-14-6-13-23-25/h6-15H,4-5,16H2,1-3H3,(H,24,27)
InChIKeyWOTOXSPIARXTNE-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.52
Rot. Bonds8

About 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55812362) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55812362
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cn3cccn3)cc2)ccc1C
InChIInChI=1S/C22H26N4O3S/c1-4-26(5-2)30(28,29)21-15-19(10-7-17(21)3)22(27)24-20-11-8-18(9-12-20)16-25-14-6-13-23-25/h6-15H,4-5,16H2,1-3H3,(H,24,27)
InChIKeyWOTOXSPIARXTNE-UHFFFAOYSA-N
XLogP3.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55674283
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26045640
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55812362) is 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cn3cccn3)cc2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is WOTOXSPIARXTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-26(5-2)30(28,29)21-15-19(10-7-17(21)3)22(27)24-20-11-8-18(9-12-20)16-25-14-6-13-23-25/h6-15H,4-5,16H2,1-3H3,(H,24,27).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 426.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55812362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).