N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide

C21H35N3O5S — CID 54098125

IUPACN-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide
SMILESCCCCNS(=O)(=O)CC(O)C(O)C(CC1CCCCC1)NC(=O)c1ccncc1
InChIInChI=1S/C21H35N3O5S/c1-2-3-11-23-30(28,29)15-19(25)20(26)18(14-16-7-5-4-6-8-16)24-21(27)17-9-12-22-13-10-17/h9-10,12-13,16,18-20,23,25-26H,2-8,11,14-15H2,1H3,(H,24,27)
InChIKeyMYPBDRJKUUONIA-UHFFFAOYSA-N
MW441.59 g/mol
LogP1.59
Rot. Bonds12

About N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide

N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide (PubChem CID 54098125) has the molecular formula C21H35N3O5S and a molecular weight of 441.59 g/mol. Its IUPAC name is N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide
PubChem CID54098125
Molecular FormulaC21H35N3O5S
Molecular Weight441.59 g/mol
Exact Mass441.23
IUPAC NameN-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide
SMILESCCCCNS(=O)(=O)CC(O)C(O)C(CC1CCCCC1)NC(=O)c1ccncc1
InChIInChI=1S/C21H35N3O5S/c1-2-3-11-23-30(28,29)15-19(25)20(26)18(14-16-7-5-4-6-8-16)24-21(27)17-9-12-22-13-10-17/h9-10,12-13,16,18-20,23,25-26H,2-8,11,14-15H2,1H3,(H,24,27)
InChIKeyMYPBDRJKUUONIA-UHFFFAOYSA-N
XLogP1.59
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide (CID 54098125) is N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide is CCCCNS(=O)(=O)CC(O)C(O)C(CC1CCCCC1)NC(=O)c1ccncc1.
What is the InChIKey of N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide?
The InChIKey is MYPBDRJKUUONIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O5S/c1-2-3-11-23-30(28,29)15-19(25)20(26)18(14-16-7-5-4-6-8-16)24-21(27)17-9-12-22-13-10-17/h9-10,12-13,16,18-20,23,25-26H,2-8,11,14-15H2,1H3,(H,24,27).
What are the key properties of N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide?
N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide has a molecular weight of 441.59 g/mol, XLogP of 1.59, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 54098125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).