5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide

C19H22N4O4S — CID 91246973

IUPAC5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCS(=O)(=O)CNc1ccc(NC(=O)c2ccc(C#N)o2)c(N2CCCCC2)c1
InChIInChI=1S/C19H22N4O4S/c1-28(25,26)13-21-14-5-7-16(17(11-14)23-9-3-2-4-10-23)22-19(24)18-8-6-15(12-20)27-18/h5-8,11,21H,2-4,9-10,13H2,1H3,(H,22,24)
InChIKeyUNNPTBLQYZOHAN-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.81
Rot. Bonds6

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

5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide (PubChem CID 91246973) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide
PubChem CID91246973
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCS(=O)(=O)CNc1ccc(NC(=O)c2ccc(C#N)o2)c(N2CCCCC2)c1
InChIInChI=1S/C19H22N4O4S/c1-28(25,26)13-21-14-5-7-16(17(11-14)23-9-3-2-4-10-23)22-19(24)18-8-6-15(12-20)27-18/h5-8,11,21H,2-4,9-10,13H2,1H3,(H,22,24)
InChIKeyUNNPTBLQYZOHAN-UHFFFAOYSA-N
XLogP2.81
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide
CID 89085035
5-cyano-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 11231718
N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide
CID 11698112
5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86944084
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
5-cyano-N-[2-(4-fluoropiperidin-1-yl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11540968
2-[[3-(azepan-1-yl)-4-methylsulfonylanilino]methylidene]propanedinitrile
CID 168544220
2-(4-methylsulfonyl-3-pyrrolidin-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168609719
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]furan-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 11714689
5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
5-[2-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetyl]furan-2-carbonitrile
CID 158007561
5-[2-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetyl]furan-2-carbonitrile
CID 158007562

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide (CID 91246973) is 5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide is CS(=O)(=O)CNc1ccc(NC(=O)c2ccc(C#N)o2)c(N2CCCCC2)c1.
What is the InChIKey of 5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The InChIKey is UNNPTBLQYZOHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-28(25,26)13-21-14-5-7-16(17(11-14)23-9-3-2-4-10-23)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-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-(methylsulfonylmethylamino)-2-piperidin-1-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 91246973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).