N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide

C23H42N4O5S — CID 70042965

IUPACN-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide
SMILESCCCCNS(=O)(=O)CC(O)C(O)C(CC1CCCCC1)NC(=O)CC(CC)c1cnc[nH]1
InChIInChI=1S/C23H42N4O5S/c1-3-5-11-26-33(31,32)15-21(28)23(30)19(12-17-9-7-6-8-10-17)27-22(29)13-18(4-2)20-14-24-16-25-20/h14,16-19,21,23,26,28,30H,3-13,15H2,1-2H3,(H,24,25)(H,27,29)
InChIKeyZVANXAOXIAUHIT-UHFFFAOYSA-N
MW486.68 g/mol
LogP2.19
Rot. Bonds15

About N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide

N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide (PubChem CID 70042965) has the molecular formula C23H42N4O5S and a molecular weight of 486.68 g/mol. Its IUPAC name is N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide
PubChem CID70042965
Molecular FormulaC23H42N4O5S
Molecular Weight486.68 g/mol
Exact Mass486.29
IUPAC NameN-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide
SMILESCCCCNS(=O)(=O)CC(O)C(O)C(CC1CCCCC1)NC(=O)CC(CC)c1cnc[nH]1
InChIInChI=1S/C23H42N4O5S/c1-3-5-11-26-33(31,32)15-21(28)23(30)19(12-17-9-7-6-8-10-17)27-22(29)13-18(4-2)20-14-24-16-25-20/h14,16-19,21,23,26,28,30H,3-13,15H2,1-2H3,(H,24,25)(H,27,29)
InChIKeyZVANXAOXIAUHIT-UHFFFAOYSA-N
XLogP2.19
TPSA144.41 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 52.19
H-Bond Donors ≤ 55
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]-3-(1H-imidazol-5-yl)pentanamide?
The IUPAC name of N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide (CID 70042965) is N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide.
What is the SMILES notation for N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide?
The canonical SMILES for N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide is CCCCNS(=O)(=O)CC(O)C(O)C(CC1CCCCC1)NC(=O)CC(CC)c1cnc[nH]1.
What is the InChIKey of N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide?
The InChIKey is ZVANXAOXIAUHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O5S/c1-3-5-11-26-33(31,32)15-21(28)23(30)19(12-17-9-7-6-8-10-17)27-22(29)13-18(4-2)20-14-24-16-25-20/h14,16-19,21,23,26,28,30H,3-13,15H2,1-2H3,(H,24,25)(H,27,29).
What are the key properties of N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide?
N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]-3-(1H-imidazol-5-yl)pentanamide has a molecular weight of 486.68 g/mol, XLogP of 2.19, 15 rotatable bonds, 5 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]-3-(1H-imidazol-5-yl)pentanamide is sourced from PubChem (CID 70042965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).