1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea

C23H39N5O5S — CID 46186395

IUPAC1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCC1)NCc1cccnc1
InChIInChI=1S/C23H39N5O5S/c29-23(26-20-21-7-6-10-24-19-21)25-11-3-1-2-4-18-34(30,31)28(22-8-5-9-22)33-17-14-27-12-15-32-16-13-27/h6-7,10,19,22H,1-5,8-9,11-18,20H2,(H2,25,26,29)
InChIKeySMAFIHPJXRTEBC-UHFFFAOYSA-N
MW497.66 g/mol
LogP1.89
Rot. Bonds15

About 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea

1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 46186395) has the molecular formula C23H39N5O5S and a molecular weight of 497.66 g/mol. Its IUPAC name is 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID46186395
Molecular FormulaC23H39N5O5S
Molecular Weight497.66 g/mol
Exact Mass497.27
IUPAC Name1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCC1)NCc1cccnc1
InChIInChI=1S/C23H39N5O5S/c29-23(26-20-21-7-6-10-24-19-21)25-11-3-1-2-4-18-34(30,31)28(22-8-5-9-22)33-17-14-27-12-15-32-16-13-27/h6-7,10,19,22H,1-5,8-9,11-18,20H2,(H2,25,26,29)
InChIKeySMAFIHPJXRTEBC-UHFFFAOYSA-N
XLogP1.89
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 51.89
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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Related Compounds

1-Cyano-2-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine
CID 44136825
1-[6-[Cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylthiourea
CID 44814424
1-[6-[Cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
CID 46183166
1-[6-[Cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylurea
CID 46184343
N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamoylamino)heptanamide
CID 46184344
N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamothioylamino)heptanamide
CID 46184581
1-[7-[Cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]heptyl]-3-(pyridin-3-ylmethyl)urea
CID 46185873
1-[6-[Cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
CID 46186393
1-Cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine
CID 72735245
1-Cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine
CID 72735246
1-Cyano-2-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine
CID 72735247
(E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 73353677

Frequently Asked Questions

What is the IUPAC name of 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea (CID 46186395) is 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCC1)NCc1cccnc1.
What is the InChIKey of 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is SMAFIHPJXRTEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O5S/c29-23(26-20-21-7-6-10-24-19-21)25-11-3-1-2-4-18-34(30,31)28(22-8-5-9-22)33-17-14-27-12-15-32-16-13-27/h6-7,10,19,22H,1-5,8-9,11-18,20H2,(H2,25,26,29).
What are the key properties of 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea?
1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 497.66 g/mol, XLogP of 1.89, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[cyclobutyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 46186395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).