4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide

C26H34N4O4S — CID 60556319

IUPAC4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H34N4O4S/c1-6-20(7-2)18-29(8-3)25(31)21-14-16-23(17-15-21)35(33,34)27-24-19(4)28(5)30(26(24)32)22-12-10-9-11-13-22/h9-17,20,27H,6-8,18H2,1-5H3
InChIKeyRUUCDKDLTPHQQN-UHFFFAOYSA-N
MW498.65 g/mol
LogP4.18
Rot. Bonds10

About 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide (PubChem CID 60556319) has the molecular formula C26H34N4O4S and a molecular weight of 498.65 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide.

Molecular Properties

Compound Name4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide
PubChem CID60556319
Molecular FormulaC26H34N4O4S
Molecular Weight498.65 g/mol
Exact Mass498.23
IUPAC Name4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H34N4O4S/c1-6-20(7-2)18-29(8-3)25(31)21-14-16-23(17-15-21)35(33,34)27-24-19(4)28(5)30(26(24)32)22-12-10-9-11-13-22/h9-17,20,27H,6-8,18H2,1-5H3
InChIKeyRUUCDKDLTPHQQN-UHFFFAOYSA-N
XLogP4.18
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide?
The IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide (CID 60556319) is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide.
What is the SMILES notation for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide?
The canonical SMILES for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide is CCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide?
The InChIKey is RUUCDKDLTPHQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4S/c1-6-20(7-2)18-29(8-3)25(31)21-14-16-23(17-15-21)35(33,34)27-24-19(4)28(5)30(26(24)32)22-12-10-9-11-13-22/h9-17,20,27H,6-8,18H2,1-5H3.
What are the key properties of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide?
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide has a molecular weight of 498.65 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide is sourced from PubChem (CID 60556319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).