1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea

C24H41N5O5S — CID 46184343

IUPAC1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea
SMILESO=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1
InChIInChI=1S/C24H41N5O5S/c30-24(27-22-10-13-25-14-11-22)26-12-6-1-2-7-21-35(31,32)29(23-8-4-3-5-9-23)34-20-17-28-15-18-33-19-16-28/h10-11,13-14,23H,1-9,12,15-21H2,(H2,25,26,27,30)
InChIKeyZTFUBPOPIVYCLV-UHFFFAOYSA-N
MW511.69 g/mol
LogP2.99
Rot. Bonds14

About 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea

1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea (PubChem CID 46184343) has the molecular formula C24H41N5O5S and a molecular weight of 511.69 g/mol. Its IUPAC name is 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea
PubChem CID46184343
Molecular FormulaC24H41N5O5S
Molecular Weight511.69 g/mol
Exact Mass511.28
IUPAC Name1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea
SMILESO=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1
InChIInChI=1S/C24H41N5O5S/c30-24(27-22-10-13-25-14-11-22)26-12-6-1-2-7-21-35(31,32)29(23-8-4-3-5-9-23)34-20-17-28-15-18-33-19-16-28/h10-11,13-14,23H,1-9,12,15-21H2,(H2,25,26,27,30)
InChIKeyZTFUBPOPIVYCLV-UHFFFAOYSA-N
XLogP2.99
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.69
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea (CID 46184343) is 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea is O=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1.
What is the InChIKey of 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea?
The InChIKey is ZTFUBPOPIVYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O5S/c30-24(27-22-10-13-25-14-11-22)26-12-6-1-2-7-21-35(31,32)29(23-8-4-3-5-9-23)34-20-17-28-15-18-33-19-16-28/h10-11,13-14,23H,1-9,12,15-21H2,(H2,25,26,27,30).
What are the key properties of 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea?
1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea has a molecular weight of 511.69 g/mol, XLogP of 2.99, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 46184343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).