3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

C22H32N4O3S — CID 30954449

IUPAC3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)n1
InChIInChI=1S/C22H32N4O3S/c1-17-15-18(2)26(24-17)14-8-13-23-22(27)19-9-7-12-21(16-19)30(28,29)25(3)20-10-5-4-6-11-20/h7,9,12,15-16,20H,4-6,8,10-11,13-14H2,1-3H3,(H,23,27)
InChIKeyZIPLXMGAMGPGIH-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.27
Rot. Bonds8

About 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (PubChem CID 30954449) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
PubChem CID30954449
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)n1
InChIInChI=1S/C22H32N4O3S/c1-17-15-18(2)26(24-17)14-8-13-23-22(27)19-9-7-12-21(16-19)30(28,29)25(3)20-10-5-4-6-11-20/h7,9,12,15-16,20H,4-6,8,10-11,13-14H2,1-3H3,(H,23,27)
InChIKeyZIPLXMGAMGPGIH-UHFFFAOYSA-N
XLogP3.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (CID 30954449) is 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is Cc1cc(C)n(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)n1.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The InChIKey is ZIPLXMGAMGPGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-17-15-18(2)26(24-17)14-8-13-23-22(27)19-9-7-12-21(16-19)30(28,29)25(3)20-10-5-4-6-11-20/h7,9,12,15-16,20H,4-6,8,10-11,13-14H2,1-3H3,(H,23,27).
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide has a molecular weight of 432.59 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 30954449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).