N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C25H26N4O4S — CID 25482636

IUPACN-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(Cc3ccccc3)Cc3ccco3)CC2)cc1
InChIInChI=1S/C25H26N4O4S/c26-17-21-8-10-24(11-9-21)34(31,32)29-14-12-27(13-15-29)20-25(30)28(19-23-7-4-16-33-23)18-22-5-2-1-3-6-22/h1-11,16H,12-15,18-20H2
InChIKeyROXOFKREXIZIFC-UHFFFAOYSA-N
MW478.57 g/mol
LogP2.69
Rot. Bonds8

About N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 25482636) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID25482636
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(Cc3ccccc3)Cc3ccco3)CC2)cc1
InChIInChI=1S/C25H26N4O4S/c26-17-21-8-10-24(11-9-21)34(31,32)29-14-12-27(13-15-29)20-25(30)28(19-23-7-4-16-33-23)18-22-5-2-1-3-6-22/h1-11,16H,12-15,18-20H2
InChIKeyROXOFKREXIZIFC-UHFFFAOYSA-N
XLogP2.69
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 166434939
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 60546192
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
ethyl 4-[4-[2-(dibenzylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 4847165
2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78819072
2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55570754
N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 56554989
3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
CID 37429700
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773220
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8743401
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8692545

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 25482636) is N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(Cc3ccccc3)Cc3ccco3)CC2)cc1.
What is the InChIKey of N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ROXOFKREXIZIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c26-17-21-8-10-24(11-9-21)34(31,32)29-14-12-27(13-15-29)20-25(30)28(19-23-7-4-16-33-23)18-22-5-2-1-3-6-22/h1-11,16H,12-15,18-20H2.
What are the key properties of N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 478.57 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 25482636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).