3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea

C18H24N4O5S — CID 55743219

IUPAC3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCOCCOc1ccc(NC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C18H24N4O5S/c1-13(14-4-7-16(8-5-14)28(19,24)25)22(2)18(23)21-15-6-9-17(20-12-15)27-11-10-26-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)(H2,19,24,25)
InChIKeyLDIVDMLLUBAOAH-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.98
Rot. Bonds8

About 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea

3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 55743219) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID55743219
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCOCCOc1ccc(NC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C18H24N4O5S/c1-13(14-4-7-16(8-5-14)28(19,24)25)22(2)18(23)21-15-6-9-17(20-12-15)27-11-10-26-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)(H2,19,24,25)
InChIKeyLDIVDMLLUBAOAH-UHFFFAOYSA-N
XLogP1.98
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(4-methylsulfonylphenyl)-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55695530
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea
CID 95772256
1-methyl-1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 94117936
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-(2-methylpropyl)urea
CID 95772315
(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
CID 61178172
3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 47493398
4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 55639511
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55635317
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea (CID 55743219) is 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea is COCCOc1ccc(NC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is LDIVDMLLUBAOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-13(14-4-7-16(8-5-14)28(19,24)25)22(2)18(23)21-15-6-9-17(20-12-15)27-11-10-26-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)(H2,19,24,25).
What are the key properties of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea?
3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 408.48 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 55743219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).