5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide

C17H18N4O2S — CID 89085035

IUPAC5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(NS)cc2N2CCCCC2)o1
InChIInChI=1S/C17H18N4O2S/c18-11-13-5-7-16(23-13)17(22)19-14-6-4-12(20-24)10-15(14)21-8-2-1-3-9-21/h4-7,10,20,24H,1-3,8-9H2,(H,19,22)
InChIKeyDKIJQCOPEOXNBW-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.65
Rot. Bonds4

About 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide

5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide (PubChem CID 89085035) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide
PubChem CID89085035
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(NS)cc2N2CCCCC2)o1
InChIInChI=1S/C17H18N4O2S/c18-11-13-5-7-16(23-13)17(22)19-14-6-4-12(20-24)10-15(14)21-8-2-1-3-9-21/h4-7,10,20,24H,1-3,8-9H2,(H,19,22)
InChIKeyDKIJQCOPEOXNBW-UHFFFAOYSA-N
XLogP3.65
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide (CID 89085035) is 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(NS)cc2N2CCCCC2)o1.
What is the InChIKey of 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide?
The InChIKey is DKIJQCOPEOXNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c18-11-13-5-7-16(23-13)17(22)19-14-6-4-12(20-24)10-15(14)21-8-2-1-3-9-21/h4-7,10,20,24H,1-3,8-9H2,(H,19,22).
What are the key properties of 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide?
5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 89085035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).