4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide

C23H28N4O3S — CID 42110600

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1
InChIInChI=1S/C23H28N4O3S/c1-5-26(16-19-9-7-6-8-10-19)31(29,30)21-13-11-20(12-14-21)23(28)24-22-15-18(4)25-27(22)17(2)3/h6-15,17H,5,16H2,1-4H3,(H,24,28)
InChIKeyHHOQEVYHTDTYIW-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.24
Rot. Bonds8

About 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide

4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 42110600) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID42110600
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1
InChIInChI=1S/C23H28N4O3S/c1-5-26(16-19-9-7-6-8-10-19)31(29,30)21-13-11-20(12-14-21)23(28)24-22-15-18(4)25-27(22)17(2)3/h6-15,17H,5,16H2,1-4H3,(H,24,28)
InChIKeyHHOQEVYHTDTYIW-UHFFFAOYSA-N
XLogP4.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 4124631
4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051211
4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 45284687
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
CID 41044645
4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971896
2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4181548
4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41007497
4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4583357

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide (CID 42110600) is 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is HHOQEVYHTDTYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-5-26(16-19-9-7-6-8-10-19)31(29,30)21-13-11-20(12-14-21)23(28)24-22-15-18(4)25-27(22)17(2)3/h6-15,17H,5,16H2,1-4H3,(H,24,28).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 440.57 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 42110600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).