3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide

C22H26N4O3S — CID 55674283

IUPAC3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cn2cccn2)ccc1C
InChIInChI=1S/C22H26N4O3S/c1-4-26(5-2)30(28,29)21-15-18(12-11-17(21)3)22(27)24-20-10-7-6-9-19(20)16-25-14-8-13-23-25/h6-15H,4-5,16H2,1-3H3,(H,24,27)
InChIKeyMRYNUEKDHCKZSA-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.52
Rot. Bonds8

About 3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide

3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55674283) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55674283
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cn2cccn2)ccc1C
InChIInChI=1S/C22H26N4O3S/c1-4-26(5-2)30(28,29)21-15-18(12-11-17(21)3)22(27)24-20-10-7-6-9-19(20)16-25-14-8-13-23-25/h6-15H,4-5,16H2,1-3H3,(H,24,27)
InChIKeyMRYNUEKDHCKZSA-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-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812362
4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55642916
4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
CID 46427634
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 26290598
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzamide
CID 43073967
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46427584
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55887161
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
ethyl 3-nitro-5-[[2-(pyrazol-1-ylmethyl)phenyl]carbamoyl]benzoate
CID 43068785
N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26409898

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55674283) is 3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cn2cccn2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is MRYNUEKDHCKZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-26(5-2)30(28,29)21-15-18(12-11-17(21)3)22(27)24-20-10-7-6-9-19(20)16-25-14-8-13-23-25/h6-15H,4-5,16H2,1-3H3,(H,24,27).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
3-(diethylsulfamoyl)-4-methyl-N-[2-(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-[2-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55674283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).