1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea

C16H23N5O4S — CID 55794321

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cnn(CCOC)c2)cc1
InChIInChI=1S/C16H23N5O4S/c1-17-26(23,24)12-14-5-3-13(4-6-14)9-18-16(22)20-15-10-19-21(11-15)7-8-25-2/h3-6,10-11,17H,7-9,12H2,1-2H3,(H2,18,20,22)
InChIKeyNEJZBTVYVHYOAU-UHFFFAOYSA-N
MW381.46 g/mol
LogP0.90
Rot. Bonds9

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea

1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea (PubChem CID 55794321) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
PubChem CID55794321
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cnn(CCOC)c2)cc1
InChIInChI=1S/C16H23N5O4S/c1-17-26(23,24)12-14-5-3-13(4-6-14)9-18-16(22)20-15-10-19-21(11-15)7-8-25-2/h3-6,10-11,17H,7-9,12H2,1-2H3,(H2,18,20,22)
InChIKeyNEJZBTVYVHYOAU-UHFFFAOYSA-N
XLogP0.90
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55483301
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 94031186
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362
1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 122159516
1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 154780893
3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 126833913
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 56814238
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 95979762

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea (CID 55794321) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea is CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cnn(CCOC)c2)cc1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is NEJZBTVYVHYOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-17-26(23,24)12-14-5-3-13(4-6-14)9-18-16(22)20-15-10-19-21(11-15)7-8-25-2/h3-6,10-11,17H,7-9,12H2,1-2H3,(H2,18,20,22).
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 381.46 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55794321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).