4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide

C18H26N4O3S — CID 48955554

IUPAC4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C18H26N4O3S/c1-3-22(4-2)26(24,25)17-7-5-16(6-8-17)14-20-18(23)21-11-9-15(13-19)10-12-21/h5-8,15H,3-4,9-12,14H2,1-2H3,(H,20,23)
InChIKeyMHVSKRRWZZUUTN-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.16
Rot. Bonds6

About 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide

4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 48955554) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID48955554
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C18H26N4O3S/c1-3-22(4-2)26(24,25)17-7-5-16(6-8-17)14-20-18(23)21-11-9-15(13-19)10-12-21/h5-8,15H,3-4,9-12,14H2,1-2H3,(H,20,23)
InChIKeyMHVSKRRWZZUUTN-UHFFFAOYSA-N
XLogP2.16
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide (CID 48955554) is 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC(C#N)CC2)cc1.
What is the InChIKey of 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is MHVSKRRWZZUUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-22(4-2)26(24,25)17-7-5-16(6-8-17)14-20-18(23)21-11-9-15(13-19)10-12-21/h5-8,15H,3-4,9-12,14H2,1-2H3,(H,20,23).
What are the key properties of 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide?
4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 48955554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).