1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine

C26H43N7O4S — CID 72735244

IUPAC1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine
SMILESN#CN/C(=N\CCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1
InChIInChI=1S/C26H43N7O4S/c27-23-30-26(31-24-11-14-28-15-12-24)29-13-7-2-1-3-8-22-38(34,35)33(25-9-5-4-6-10-25)37-21-18-32-16-19-36-20-17-32/h11-12,14-15,25H,1-10,13,16-22H2,(H2,28,29,30,31)
InChIKeyGFCJFSMRMSOTIC-UHFFFAOYSA-N
MW549.74 g/mol
LogP3.10
Rot. Bonds15

About 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine

1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine (PubChem CID 72735244) has the molecular formula C26H43N7O4S and a molecular weight of 549.74 g/mol. Its IUPAC name is 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine.

Molecular Properties

Compound Name1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine
PubChem CID72735244
Molecular FormulaC26H43N7O4S
Molecular Weight549.74 g/mol
Exact Mass549.31
IUPAC Name1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine
SMILESN#CN/C(=N\CCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1
InChIInChI=1S/C26H43N7O4S/c27-23-30-26(31-24-11-14-28-15-12-24)29-13-7-2-1-3-8-22-38(34,35)33(25-9-5-4-6-10-25)37-21-18-32-16-19-36-20-17-32/h11-12,14-15,25H,1-10,13,16-22H2,(H2,28,29,30,31)
InChIKeyGFCJFSMRMSOTIC-UHFFFAOYSA-N
XLogP3.10
TPSA132.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.74
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine?
The IUPAC name of 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine (CID 72735244) is 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine.
What is the SMILES notation for 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine?
The canonical SMILES for 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine is N#CN/C(=N\CCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1.
What is the InChIKey of 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine?
The InChIKey is GFCJFSMRMSOTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N7O4S/c27-23-30-26(31-24-11-14-28-15-12-24)29-13-7-2-1-3-8-22-38(34,35)33(25-9-5-4-6-10-25)37-21-18-32-16-19-36-20-17-32/h11-12,14-15,25H,1-10,13,16-22H2,(H2,28,29,30,31).
What are the key properties of 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine?
1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine has a molecular weight of 549.74 g/mol, XLogP of 3.10, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[7-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-pyridin-4-ylguanidine is sourced from PubChem (CID 72735244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).