4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide

C23H29N3O5S — CID 55624016

IUPAC4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
SMILESCOC1=CC=C(C=C1)C(=O)NCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
InChIInChI=1S/C23H29N3O5S/c1-31-20-11-7-18(8-12-20)23(28)24-15-5-6-22(27)25-19-9-13-21(14-10-19)32(29,30)26-16-3-2-4-17-26/h7-14H,2-6,15-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyWHZXLJMSGAPYRK-UHFFFAOYSA-N
MW459.60 g/mol
LogP2.30
Rot. Bonds9

About 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide

4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide (PubChem CID 55624016) has the molecular formula C23H29N3O5S and a molecular weight of 459.60 g/mol. Its IUPAC name is 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
PubChem CID55624016
Molecular FormulaC23H29N3O5S
Molecular Weight459.60 g/mol
Exact Mass459.18
IUPAC Name4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
SMILESCOC1=CC=C(C=C1)C(=O)NCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
InChIInChI=1S/C23H29N3O5S/c1-31-20-11-7-18(8-12-20)23(28)24-15-5-6-22(27)25-19-9-13-21(14-10-19)32(29,30)26-16-3-2-4-17-26/h7-14H,2-6,15-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyWHZXLJMSGAPYRK-UHFFFAOYSA-N
XLogP2.30
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity702

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide (CID 55624016) is 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide is COC1=CC=C(C=C1)C(=O)NCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3.
What is the InChIKey of 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide?
The InChIKey is WHZXLJMSGAPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-31-20-11-7-18(8-12-20)23(28)24-15-5-6-22(27)25-19-9-13-21(14-10-19)32(29,30)26-16-3-2-4-17-26/h7-14H,2-6,15-17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide?
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide has a molecular weight of 459.60 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide is sourced from PubChem (CID 55624016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).