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

C25H43N5O5S — CID 46183166

IUPAC1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)NCc1cccnc1
InChIInChI=1S/C25H43N5O5S/c31-25(28-22-23-9-8-12-26-21-23)27-13-6-1-2-7-20-36(32,33)30(24-10-4-3-5-11-24)35-19-16-29-14-17-34-18-15-29/h8-9,12,21,24H,1-7,10-11,13-20,22H2,(H2,27,28,31)
InChIKeyRUKIBNRHSLVJQR-UHFFFAOYSA-N
MW525.72 g/mol
LogP2.67
Rot. Bonds15

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

1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 46183166) has the molecular formula C25H43N5O5S and a molecular weight of 525.72 g/mol. Its IUPAC name is 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID46183166
Molecular FormulaC25H43N5O5S
Molecular Weight525.72 g/mol
Exact Mass525.30
IUPAC Name1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)NCc1cccnc1
InChIInChI=1S/C25H43N5O5S/c31-25(28-22-23-9-8-12-26-21-23)27-13-6-1-2-7-20-36(32,33)30(24-10-4-3-5-11-24)35-19-16-29-14-17-34-18-15-29/h8-9,12,21,24H,1-7,10-11,13-20,22H2,(H2,27,28,31)
InChIKeyRUKIBNRHSLVJQR-UHFFFAOYSA-N
XLogP2.67
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.72
LogP ≤ 52.67
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-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
1-[6-[(4-chlorophenyl)-(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
CID 46183403
1-[4-[cyclobutyl(3-morpholin-4-ylpropyl)sulfamoyl]butyl]-3-(2-pyridin-3-ylethyl)urea
CID 46183888
(E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide
CID 46233812
N-cyclohexyl-6-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide
CID 72736376
6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide
CID 72735790
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 86992722
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide
CID 91105238
3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea
CID 87236961

Frequently Asked Questions

What is the IUPAC name of 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea (CID 46183166) is 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)NCc1cccnc1.
What is the InChIKey of 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is RUKIBNRHSLVJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O5S/c31-25(28-22-23-9-8-12-26-21-23)27-13-6-1-2-7-20-36(32,33)30(24-10-4-3-5-11-24)35-19-16-29-14-17-34-18-15-29/h8-9,12,21,24H,1-7,10-11,13-20,22H2,(H2,27,28,31).
What are the key properties of 1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea?
1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 525.72 g/mol, XLogP of 2.67, 15 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-3-ylmethyl)urea is sourced from PubChem (CID 46183166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).