N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide

C18H21N5O4S — CID 39013390

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESCc1oc(NC(=O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)c(C#N)c1C
InChIInChI=1S/C18H21N5O4S/c1-13-14(2)27-18(16(13)10-19)21-17(24)12-22-6-8-23(9-7-22)28(25,26)15-4-3-5-20-11-15/h3-5,11H,6-9,12H2,1-2H3,(H,21,24)
InChIKeyWGTBHLOYVNYBCR-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.11
Rot. Bonds5

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 39013390) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID39013390
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESCc1oc(NC(=O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)c(C#N)c1C
InChIInChI=1S/C18H21N5O4S/c1-13-14(2)27-18(16(13)10-19)21-17(24)12-22-6-8-23(9-7-22)28(25,26)15-4-3-5-20-11-15/h3-5,11H,6-9,12H2,1-2H3,(H,21,24)
InChIKeyWGTBHLOYVNYBCR-UHFFFAOYSA-N
XLogP1.11
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide with MolForge

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 16595951
N-(2-methylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010289
N-(2-cyanoethyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39012931
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 55600995
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 18135579
N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010761
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]acetamide
CID 71878529
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 9458920
N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 43063731
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760304
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681461

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (CID 39013390) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is Cc1oc(NC(=O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is WGTBHLOYVNYBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-13-14(2)27-18(16(13)10-19)21-17(24)12-22-6-8-23(9-7-22)28(25,26)15-4-3-5-20-11-15/h3-5,11H,6-9,12H2,1-2H3,(H,21,24).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 403.46 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 39013390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).