5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide

C19H22N4O4S — CID 11625534

IUPAC5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCN(c1ccc(NC(=O)c2ccc(C#N)o2)c(N2CCCCC2)c1)S(C)(=O)=O
InChIInChI=1S/C19H22N4O4S/c1-22(28(2,25)26)14-6-8-16(17(12-14)23-10-4-3-5-11-23)21-19(24)18-9-7-15(13-20)27-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24)
InChIKeyWKEZULBZMKJKNX-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.79
Rot. Bonds5

About 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide

5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide (PubChem CID 11625534) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide
PubChem CID11625534
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCN(c1ccc(NC(=O)c2ccc(C#N)o2)c(N2CCCCC2)c1)S(C)(=O)=O
InChIInChI=1S/C19H22N4O4S/c1-22(28(2,25)26)14-6-8-16(17(12-14)23-10-4-3-5-11-23)21-19(24)18-9-7-15(13-20)27-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24)
InChIKeyWKEZULBZMKJKNX-UHFFFAOYSA-N
XLogP2.79
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-furan-2-carboxylic acid [4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-piperidin-1-yl-phenyl]-amide
CID 11654827
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
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 1048482
5-cyano-N-(5-cyano-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 11209405
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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide (CID 11625534) is 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide is CN(c1ccc(NC(=O)c2ccc(C#N)o2)c(N2CCCCC2)c1)S(C)(=O)=O.
What is the InChIKey of 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The InChIKey is WKEZULBZMKJKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-22(28(2,25)26)14-6-8-16(17(12-14)23-10-4-3-5-11-23)21-19(24)18-9-7-15(13-20)27-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24).
What are the key properties of 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide?
5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-[methyl(methylsulfonyl)amino]-2-piperidin-1-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 11625534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).