5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

C22H24N4O5S — CID 55783720

IUPAC5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)o1
InChIInChI=1S/C22H24N4O5S/c1-22(2,3)26-32(29,30)19-11-10-18(31-19)21(28)25-16-9-6-7-15(13-16)20(27)24-14-17-8-4-5-12-23-17/h4-13,26H,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeySTQGUAUKGKGOJK-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.93
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 55783720) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID55783720
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)o1
InChIInChI=1S/C22H24N4O5S/c1-22(2,3)26-32(29,30)19-11-10-18(31-19)21(28)25-16-9-6-7-15(13-16)20(27)24-14-17-8-4-5-12-23-17/h4-13,26H,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeySTQGUAUKGKGOJK-UHFFFAOYSA-N
XLogP2.93
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 55782670
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate
CID 86989733
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide
CID 55693793
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55782703
3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55965284
2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783
4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33499844
3-[3-(4-tert-butylphenyl)prop-2-enoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 55782478

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (CID 55783720) is 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is STQGUAUKGKGOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-22(2,3)26-32(29,30)19-11-10-18(31-19)21(28)25-16-9-6-7-15(13-16)20(27)24-14-17-8-4-5-12-23-17/h4-13,26H,14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55783720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).