2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile

C24H20N4O5S — CID 55834847

IUPAC2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1
InChIInChI=1S/C24H20N4O5S/c25-15-18-5-1-3-7-21(18)32-17-20-9-10-22(33-20)24(29)27-11-13-28(14-12-27)34(30,31)23-8-4-2-6-19(23)16-26/h1-10H,11-14,17H2
InChIKeyQNAQABGQSIXCBJ-UHFFFAOYSA-N
MW476.51 g/mol
LogP2.75
Rot. Bonds6

About 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile

2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile (PubChem CID 55834847) has the molecular formula C24H20N4O5S and a molecular weight of 476.51 g/mol. Its IUPAC name is 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
PubChem CID55834847
Molecular FormulaC24H20N4O5S
Molecular Weight476.51 g/mol
Exact Mass476.12
IUPAC Name2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1
InChIInChI=1S/C24H20N4O5S/c25-15-18-5-1-3-7-21(18)32-17-20-9-10-22(33-20)24(29)27-11-13-28(14-12-27)34(30,31)23-8-4-2-6-19(23)16-26/h1-10H,11-14,17H2
InChIKeyQNAQABGQSIXCBJ-UHFFFAOYSA-N
XLogP2.75
TPSA127.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
2-[[5-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 55829905
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 27799823
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 26872270
2-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822354
2-[[5-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 55834850
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 7942120
2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 2467591
2-[4-(4-chlorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822428
2-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822233
[4-(benzenesulfonyl)piperazin-1-yl]-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]methanone
CID 19585294

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
The IUPAC name of 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile (CID 55834847) is 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile.
What is the SMILES notation for 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
The canonical SMILES for 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile is N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1.
What is the InChIKey of 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
The InChIKey is QNAQABGQSIXCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5S/c25-15-18-5-1-3-7-21(18)32-17-20-9-10-22(33-20)24(29)27-11-13-28(14-12-27)34(30,31)23-8-4-2-6-19(23)16-26/h1-10H,11-14,17H2.
What are the key properties of 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile has a molecular weight of 476.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile is sourced from PubChem (CID 55834847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).