benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide

C32H36ClN5O5S — CID 70093093

About benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide

benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide (PubChem CID 70093093) has the molecular formula C32H36ClN5O5S and a molecular weight of 638.19 g/mol. Its IUPAC name is benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
• PubChem CID: 70093093
• Molecular Formula: C32H36ClN5O5S
• Molecular Weight: 638.19 g/mol
• Exact Mass: 637.21
• IUPAC Name: benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
• SMILES: CN(C)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc(Cl)cc4)o3)CC2)c1.NC(=O)c1ccccc1
• InChI: InChI=1S/C25H29ClN4O4S.C7H7NO/c1-29(2)22-5-3-4-21(16-22)28-20-12-14-30(15-13-20)35(32,33)24-11-10-23(34-24)17-27-25(31)18-6-8-19(26)9-7-18;8-7(9)6-4-2-1-3-5-6/h3-11,16,20,28H,12-15,17H2,1-2H3,(H,27,31);1-5H,(H2,8,9)
• InChIKey: ZFGAPCOMOKYATE-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 137.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.19
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?

The IUPAC name of benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide (CID 70093093) is benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide.

What is the SMILES notation for benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?

The canonical SMILES for benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide is CN(C)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc(Cl)cc4)o3)CC2)c1.NC(=O)c1ccccc1.

What is the InChIKey of benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?

The InChIKey is ZFGAPCOMOKYATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4S.C7H7NO/c1-29(2)22-5-3-4-21(16-22)28-20-12-14-30(15-13-20)35(32,33)24-11-10-23(34-24)17-27-25(31)18-6-8-19(26)9-7-18;8-7(9)6-4-2-1-3-5-6/h3-11,16,20,28H,12-15,17H2,1-2H3,(H,27,31);1-5H,(H2,8,9).

What are the key properties of benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide?

benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide has a molecular weight of 638.19 g/mol, XLogP of 4.98, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzamide;4-chloro-N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide is sourced from PubChem (CID 70093093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).