5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide

C19H22N4O4S — CID 11327103

IUPAC5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCS(=O)(=O)NCc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)o2)c1
InChIInChI=1S/C19H22N4O4S/c1-28(25,26)21-13-14-5-7-17(23-9-3-2-4-10-23)16(11-14)22-19(24)18-8-6-15(12-20)27-18/h5-8,11,21H,2-4,9-10,13H2,1H3,(H,22,24)
InChIKeyUNJWUJSFLSUHRH-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.44
Rot. Bonds6

About 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide

5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide (PubChem CID 11327103) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
PubChem CID11327103
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCS(=O)(=O)NCc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)o2)c1
InChIInChI=1S/C19H22N4O4S/c1-28(25,26)21-13-14-5-7-17(23-9-3-2-4-10-23)16(11-14)22-19(24)18-8-6-15(12-20)27-18/h5-8,11,21H,2-4,9-10,13H2,1H3,(H,22,24)
InChIKeyUNJWUJSFLSUHRH-UHFFFAOYSA-N
XLogP2.44
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyano-furan-2-carboxylic acid (5-hydroxymethyl-2-(4-methyl-piperidin-1-YL)-phenyl)-amide
CID 9884318
5-methyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4799939
Furan-2-carboxamide deriv., 15
CID 44236901
5-Cyano-furan-2-carboxylic acid [4-(1-acetyl-piperidin-4-yl)-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
CID 11575682
5-cyano-N-(2-(4-methylpiperidin-1-yl)-4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)furan-2-carboxamide
CID 11619776
5-Cyano-furan-2-carboxylic acid [2-(4-methyl-piperidin-1-yl)-4-piperidin-4-yl-phenyl]-amide
CID 11621465
5-Cyano-furan-2-carboxylic acid [4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-piperidin-1-yl-phenyl]-amide
CID 11654827
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
CID 11669846
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11690004
5-Methyl-~{n}-[2-(4-Methylpiperazin-1-Yl)-5-(Trifluoromethyl)phenyl]furan-2-Carboxamide
CID 16367133
Aryl piperidine, 9f
CID 44236974
5-cyano-N-(5-(hydroxymethyl)-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11186408

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide (CID 11327103) is 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide is CS(=O)(=O)NCc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)o2)c1.
What is the InChIKey of 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The InChIKey is UNJWUJSFLSUHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-28(25,26)21-13-14-5-7-17(23-9-3-2-4-10-23)16(11-14)22-19(24)18-8-6-15(12-20)27-18/h5-8,11,21H,2-4,9-10,13H2,1H3,(H,22,24).
What are the key properties of 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[5-(methanesulfonamidomethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 11327103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).