4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide

C23H22N4O4S — CID 112834641

IUPAC4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC(c3ccccc3)c3ccco3)CC2)cc1
InChIInChI=1S/C23H22N4O4S/c24-17-18-8-10-20(11-9-18)32(29,30)27-14-12-26(13-15-27)23(28)25-22(21-7-4-16-31-21)19-5-2-1-3-6-19/h1-11,16,22H,12-15H2,(H,25,28)
InChIKeyIAJFMSLXQAQOPJ-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.96
Rot. Bonds5

About 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide

4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide (PubChem CID 112834641) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide
PubChem CID112834641
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC(c3ccccc3)c3ccco3)CC2)cc1
InChIInChI=1S/C23H22N4O4S/c24-17-18-8-10-20(11-9-18)32(29,30)27-14-12-26(13-15-27)23(28)25-22(21-7-4-16-31-21)19-5-2-1-3-6-19/h1-11,16,22H,12-15H2,(H,25,28)
InChIKeyIAJFMSLXQAQOPJ-UHFFFAOYSA-N
XLogP2.96
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyanophenyl)sulfonyl-N-heptan-2-ylpiperazine-1-carboxamide
CID 51326011
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
4-(4-propanoylpiperazin-1-yl)sulfonylbenzonitrile
CID 27329910
4-(benzenesulfonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811945
N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 25482636
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490
1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 112834645
4-[4-[2-(N-ethylanilino)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55838179
4-[4-(4-propan-2-ylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 46490464
[furan-2-yl(phenyl)methyl]urea
CID 14906081
4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 27329928
4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27329941

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide (CID 112834641) is 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide is N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC(c3ccccc3)c3ccco3)CC2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide?
The InChIKey is IAJFMSLXQAQOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c24-17-18-8-10-20(11-9-18)32(29,30)27-14-12-26(13-15-27)23(28)25-22(21-7-4-16-31-21)19-5-2-1-3-6-19/h1-11,16,22H,12-15H2,(H,25,28).
What are the key properties of 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide?
4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)sulfonyl-N-[furan-2-yl(phenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 112834641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).