1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide

C20H23N3O4S — CID 86950358

IUPAC1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)o1
InChIInChI=1S/C20H23N3O4S/c1-14-11-18(15(2)27-14)13-22-20(24)17-7-9-23(10-8-17)28(25,26)19-5-3-16(12-21)4-6-19/h3-6,11,17H,7-10,13H2,1-2H3,(H,22,24)
InChIKeyWFRPOFYPKURRQA-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.49
Rot. Bonds5

About 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide

1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 86950358) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide
PubChem CID86950358
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)o1
InChIInChI=1S/C20H23N3O4S/c1-14-11-18(15(2)27-14)13-22-20(24)17-7-9-23(10-8-17)28(25,26)19-5-3-16(12-21)4-6-19/h3-6,11,17H,7-10,13H2,1-2H3,(H,22,24)
InChIKeyWFRPOFYPKURRQA-UHFFFAOYSA-N
XLogP2.49
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 41287615
1-(4-cyanophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 9087861
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26689303
1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 8865714
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropanecarboxamide
CID 90536003
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536031
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 55847105
1-(4-cyanophenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 26692920
1-(4-cyanophenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide
CID 8531436

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide (CID 86950358) is 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide is Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)o1.
What is the InChIKey of 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WFRPOFYPKURRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-11-18(15(2)27-14)13-22-20(24)17-7-9-23(10-8-17)28(25,26)19-5-3-16(12-21)4-6-19/h3-6,11,17H,7-10,13H2,1-2H3,(H,22,24).
What are the key properties of 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide?
1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 86950358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).