N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C25H27N3O5S — CID 2953887

IUPACN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H27N3O5S/c1-18-11-12-19(16-23(18)34(31,32)28-13-5-2-6-14-28)24(29)27-22-10-4-3-9-21(22)25(30)26-17-20-8-7-15-33-20/h3-4,7-12,15-16H,2,5-6,13-14,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyOBZURGGDVSLKAS-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.94
Rot. Bonds7

About N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2953887) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2953887
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H27N3O5S/c1-18-11-12-19(16-23(18)34(31,32)28-13-5-2-6-14-28)24(29)27-22-10-4-3-9-21(22)25(30)26-17-20-8-7-15-33-20/h3-4,7-12,15-16H,2,5-6,13-14,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyOBZURGGDVSLKAS-UHFFFAOYSA-N
XLogP3.94
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 2953887) is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OBZURGGDVSLKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18-11-12-19(16-23(18)34(31,32)28-13-5-2-6-14-28)24(29)27-22-10-4-3-9-21(22)25(30)26-17-20-8-7-15-33-20/h3-4,7-12,15-16H,2,5-6,13-14,17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 481.57 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2953887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).