4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide

C19H22N4O4S — CID 51134591

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cn1
InChIInChI=1S/C19H22N4O4S/c1-23-14-15(12-21-23)4-2-10-20-19(24)16-6-8-18(9-7-16)28(25,26)22-13-17-5-3-11-27-17/h3,5-9,11-12,14,22H,2,4,10,13H2,1H3,(H,20,24)
InChIKeyQPXLFXTZWQTLFG-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.85
Rot. Bonds9

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

4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 51134591) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID51134591
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cn1
InChIInChI=1S/C19H22N4O4S/c1-23-14-15(12-21-23)4-2-10-20-19(24)16-6-8-18(9-7-16)28(25,26)22-13-17-5-3-11-27-17/h3,5-9,11-12,14,22H,2,4,10,13H2,1H3,(H,20,24)
InChIKeyQPXLFXTZWQTLFG-UHFFFAOYSA-N
XLogP1.85
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.85
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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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55634091
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55699972
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059880
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 46655328
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
4-[3-(dimethylamino)propylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060283
4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419539
4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55868652

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide (CID 51134591) is 4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide is Cn1cc(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cn1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is QPXLFXTZWQTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-23-14-15(12-21-23)4-2-10-20-19(24)16-6-8-18(9-7-16)28(25,26)22-13-17-5-3-11-27-17/h3,5-9,11-12,14,22H,2,4,10,13H2,1H3,(H,20,24).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 402.48 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 51134591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).