5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide

C21H24N4O4S — CID 11654827

IUPAC5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2N2CCCCC2)o1
InChIInChI=1S/C21H24N4O4S/c22-15-17-5-7-20(29-17)21(26)23-18-6-4-16(24-10-12-30(27,28)13-11-24)14-19(18)25-8-2-1-3-9-25/h4-7,14H,1-3,8-13H2,(H,23,26)
InChIKeyIKWJACAIAGRFFJ-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.63
Rot. Bonds4

About 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide

5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide (PubChem CID 11654827) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
PubChem CID11654827
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2N2CCCCC2)o1
InChIInChI=1S/C21H24N4O4S/c22-15-17-5-7-20(29-17)21(26)23-18-6-4-16(24-10-12-30(27,28)13-11-24)14-19(18)25-8-2-1-3-9-25/h4-7,14H,1-3,8-13H2,(H,23,26)
InChIKeyIKWJACAIAGRFFJ-UHFFFAOYSA-N
XLogP2.63
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-Cyano-N-[4-(4-Methylpiperazin-1-Yl)-2-Piperidin-1-Ylphenyl]furan-2-Carboxamide
CID 11502871
5-cyano-N-(2-(4-methylpiperidin-1-yl)-4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)furan-2-carboxamide
CID 11619776
5-cyano-N-(4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11685397
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11690004
5-cyano-N-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 161198075
5-cyano-N-(2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11231718
5-cyano-N-(4-fluoro-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11232236
5-cyano-N-(5-(methylsulfonamidomethyl)-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11327103
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-morpholinophenyl)furan-2-carboxamide
CID 11502118
5-cyano-N-(4-(methylsulfonamido)-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11567250
5-Cyano-furan-2-carboxylic acid [4-(methanesulfonyl-methyl-amino)-2-piperidin-1-yl-phenyl]-amide
CID 11625534
N-(4-(2-cyanofuran-5-carboxamido)-3-(piperidin-1-yl)phenyl)-N,4-dimethylpiperazine-1-carboxamide
CID 11698112

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide (CID 11654827) is 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2N2CCCCC2)o1.
What is the InChIKey of 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The InChIKey is IKWJACAIAGRFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c22-15-17-5-7-20(29-17)21(26)23-18-6-4-16(24-10-12-30(27,28)13-11-24)14-19(18)25-8-2-1-3-9-25/h4-7,14H,1-3,8-13H2,(H,23,26).
What are the key properties of 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 11654827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).