N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C20H24N4O4S — CID 2538696

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1
InChIInChI=1S/C20H24N4O4S/c1-15-13-16(2)24(23-15)11-4-10-21-20(25)17-6-8-19(9-7-17)29(26,27)22-14-18-5-3-12-28-18/h3,5-9,12-13,22H,4,10-11,14H2,1-2H3,(H,21,25)
InChIKeyCZCVGUGLKANFOV-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.39
Rot. Bonds9

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 2538696) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID2538696
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1
InChIInChI=1S/C20H24N4O4S/c1-15-13-16(2)24(23-15)11-4-10-21-20(25)17-6-8-19(9-7-17)29(26,27)22-14-18-5-3-12-28-18/h3,5-9,12-13,22H,4,10-11,14H2,1-2H3,(H,21,25)
InChIKeyCZCVGUGLKANFOV-UHFFFAOYSA-N
XLogP2.39
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 2538696) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is Cc1cc(C)n(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is CZCVGUGLKANFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-15-13-16(2)24(23-15)11-4-10-21-20(25)17-6-8-19(9-7-17)29(26,27)22-14-18-5-3-12-28-18/h3,5-9,12-13,22H,4,10-11,14H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 416.50 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 2538696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).