5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

C20H24N4O4S — CID 38813024

IUPAC5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cn2cccn2)o1
InChIInChI=1S/C20H24N4O4S/c1-20(2,3)23-29(26,27)18-10-9-17(28-18)19(25)21-13-15-7-4-5-8-16(15)14-24-12-6-11-22-24/h4-12,23H,13-14H2,1-3H3,(H,21,25)
InChIKeyVLSDUOLLPDGFNB-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.53
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 38813024) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID38813024
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cn2cccn2)o1
InChIInChI=1S/C20H24N4O4S/c1-20(2,3)23-29(26,27)18-10-9-17(28-18)19(25)21-13-15-7-4-5-8-16(15)14-24-12-6-11-22-24/h4-12,23H,13-14H2,1-3H3,(H,21,25)
InChIKeyVLSDUOLLPDGFNB-UHFFFAOYSA-N
XLogP2.53
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
5-(tert-butylsulfamoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 55843338
5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 55975340
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51277216
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 55783720
4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419539
N-(2,3-dihydroxy-2-methylpropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 66170524
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24612715
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19288625

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (CID 38813024) is 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cn2cccn2)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is VLSDUOLLPDGFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-20(2,3)23-29(26,27)18-10-9-17(28-18)19(25)21-13-15-7-4-5-8-16(15)14-24-12-6-11-22-24/h4-12,23H,13-14H2,1-3H3,(H,21,25).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 38813024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).