N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide

C17H27N5O3S — CID 19096173

IUPACN-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide
SMILESCCCCNS(=O)(=O)/N=C(\N)NC(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N5O3S/c1-2-3-11-19-26(24,25)21-17(18)20-16(23)14-7-9-15(10-8-14)22-12-5-4-6-13-22/h7-10,19H,2-6,11-13H2,1H3,(H3,18,20,21,23)
InChIKeyXMYWIWDIAHJGFK-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.36
Rot. Bonds7

About N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide

N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide (PubChem CID 19096173) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide
PubChem CID19096173
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC NameN-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide
SMILESCCCCNS(=O)(=O)/N=C(\N)NC(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N5O3S/c1-2-3-11-19-26(24,25)21-17(18)20-16(23)14-7-9-15(10-8-14)22-12-5-4-6-13-22/h7-10,19H,2-6,11-13H2,1H3,(H3,18,20,21,23)
InChIKeyXMYWIWDIAHJGFK-UHFFFAOYSA-N
XLogP1.36
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide (CID 19096173) is N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide is CCCCNS(=O)(=O)/N=C(\N)NC(=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide?
The InChIKey is XMYWIWDIAHJGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-2-3-11-19-26(24,25)21-17(18)20-16(23)14-7-9-15(10-8-14)22-12-5-4-6-13-22/h7-10,19H,2-6,11-13H2,1H3,(H3,18,20,21,23).
What are the key properties of N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide?
N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N'-(butylsulfamoyl)carbamimidoyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 19096173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).