1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea

C23H39N5O5S — CID 46185358

IUPAC1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea
SMILESO=C(NCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1
InChIInChI=1S/C23H39N5O5S/c29-23(26-21-9-12-24-13-10-21)25-11-5-2-6-20-34(30,31)28(22-7-3-1-4-8-22)33-19-16-27-14-17-32-18-15-27/h9-10,12-13,22H,1-8,11,14-20H2,(H2,24,25,26,29)
InChIKeyXSIBIIIJCMSCKI-UHFFFAOYSA-N
MW497.66 g/mol
LogP2.60
Rot. Bonds13

About 1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea

1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea (PubChem CID 46185358) has the molecular formula C23H39N5O5S and a molecular weight of 497.66 g/mol. Its IUPAC name is 1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea
PubChem CID46185358
Molecular FormulaC23H39N5O5S
Molecular Weight497.66 g/mol
Exact Mass497.27
IUPAC Name1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea
SMILESO=C(NCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1
InChIInChI=1S/C23H39N5O5S/c29-23(26-21-9-12-24-13-10-21)25-11-5-2-6-20-34(30,31)28(22-7-3-1-4-8-22)33-19-16-27-14-17-32-18-15-27/h9-10,12-13,22H,1-8,11,14-20H2,(H2,24,25,26,29)
InChIKeyXSIBIIIJCMSCKI-UHFFFAOYSA-N
XLogP2.60
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 52.60
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-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea (CID 46185358) is 1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea is O=C(NCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1.
What is the InChIKey of 1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea?
The InChIKey is XSIBIIIJCMSCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O5S/c29-23(26-21-9-12-24-13-10-21)25-11-5-2-6-20-34(30,31)28(22-7-3-1-4-8-22)33-19-16-27-14-17-32-18-15-27/h9-10,12-13,22H,1-8,11,14-20H2,(H2,24,25,26,29).
What are the key properties of 1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea?
1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea has a molecular weight of 497.66 g/mol, XLogP of 2.60, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 46185358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).