N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide

C19H28N4O3S — CID 78778551

IUPACN-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCC(C)n1nccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C
InChIInChI=1S/C19H28N4O3S/c1-6-15(5)23-18(11-12-20-23)21-19(24)17-13-16(10-9-14(17)4)27(25,26)22(7-2)8-3/h9-13,15H,6-8H2,1-5H3,(H,21,24)
InChIKeyGIMVKJVSKPTUAB-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.45
Rot. Bonds8

About N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide

N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 78778551) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID78778551
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCC(C)n1nccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C
InChIInChI=1S/C19H28N4O3S/c1-6-15(5)23-18(11-12-20-23)21-19(24)17-13-16(10-9-14(17)4)27(25,26)22(7-2)8-3/h9-13,15H,6-8H2,1-5H3,(H,21,24)
InChIKeyGIMVKJVSKPTUAB-UHFFFAOYSA-N
XLogP3.45
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
3-(diethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30183038
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
CID 78778624
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 26524150
N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 60552677

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide (CID 78778551) is N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide is CCC(C)n1nccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is GIMVKJVSKPTUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-6-15(5)23-18(11-12-20-23)21-19(24)17-13-16(10-9-14(17)4)27(25,26)22(7-2)8-3/h9-13,15H,6-8H2,1-5H3,(H,21,24).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide?
N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 392.53 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 78778551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).