N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C22H26N4O4S — CID 86868736

IUPACN-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H26N4O4S/c1-16-21(31(28,29)26-10-2-3-11-26)14-20(30-16)22(27)24-18-8-12-25(13-9-18)19-6-4-17(15-23)5-7-19/h4-7,14,18H,2-3,8-13H2,1H3,(H,24,27)
InChIKeyJCVPICRJMGWBSR-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.64
Rot. Bonds5

About N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 86868736) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID86868736
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H26N4O4S/c1-16-21(31(28,29)26-10-2-3-11-26)14-20(30-16)22(27)24-18-8-12-25(13-9-18)19-6-4-17(15-23)5-7-19/h4-7,14,18H,2-3,8-13H2,1H3,(H,24,27)
InChIKeyJCVPICRJMGWBSR-UHFFFAOYSA-N
XLogP2.64
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 86868736) is N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is JCVPICRJMGWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-16-21(31(28,29)26-10-2-3-11-26)14-20(30-16)22(27)24-18-8-12-25(13-9-18)19-6-4-17(15-23)5-7-19/h4-7,14,18H,2-3,8-13H2,1H3,(H,24,27).
What are the key properties of N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)piperidin-4-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 86868736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).