N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide

C23H25N3O5S — CID 652023

IUPACN-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCc4ccco4)cc3)CC2)cc1
InChIInChI=1S/C23H25N3O5S/c1-30-20-8-6-19(7-9-20)25-12-14-26(15-13-25)32(28,29)22-10-4-18(5-11-22)23(27)24-17-21-3-2-16-31-21/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyUDLNLTNQIHGGRP-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.73
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide

N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide (PubChem CID 652023) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
PubChem CID652023
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCc4ccco4)cc3)CC2)cc1
InChIInChI=1S/C23H25N3O5S/c1-30-20-8-6-19(7-9-20)25-12-14-26(15-13-25)32(28,29)22-10-4-18(5-11-22)23(27)24-17-21-3-2-16-31-21/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyUDLNLTNQIHGGRP-UHFFFAOYSA-N
XLogP2.73
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

GSK-894490A free base
CID 24755624
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4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
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2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
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4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
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(1-Anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
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CID 1044182

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide (CID 652023) is N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide is COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCc4ccco4)cc3)CC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide?
The InChIKey is UDLNLTNQIHGGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-30-20-8-6-19(7-9-20)25-12-14-26(15-13-25)32(28,29)22-10-4-18(5-11-22)23(27)24-17-21-3-2-16-31-21/h2-11,16H,12-15,17H2,1H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide?
N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide has a molecular weight of 455.54 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 652023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).