1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea

C20H27N3O4S — CID 55934144

IUPAC1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea
SMILESCNS(=O)(=O)c1cccc(CNC(=O)NCCCOCCc2ccccc2)c1
InChIInChI=1S/C20H27N3O4S/c1-21-28(25,26)19-10-5-9-18(15-19)16-23-20(24)22-12-6-13-27-14-11-17-7-3-2-4-8-17/h2-5,7-10,15,21H,6,11-14,16H2,1H3,(H2,22,23,24)
InChIKeyQZLSFSFFKXUBHC-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.04
Rot. Bonds11

About 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea

1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea (PubChem CID 55934144) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea.

Molecular Properties

Compound Name1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea
PubChem CID55934144
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea
SMILESCNS(=O)(=O)c1cccc(CNC(=O)NCCCOCCc2ccccc2)c1
InChIInChI=1S/C20H27N3O4S/c1-21-28(25,26)19-10-5-9-18(15-19)16-23-20(24)22-12-6-13-27-14-11-17-7-3-2-4-8-17/h2-5,7-10,15,21H,6,11-14,16H2,1H3,(H2,22,23,24)
InChIKeyQZLSFSFFKXUBHC-UHFFFAOYSA-N
XLogP2.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55945095
1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543843
1-(3-butoxypropyl)-2-methyl-3-[[3-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111239392
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea
CID 55808225
1-[3-(2-phenylethoxy)propyl]-3-(thiophen-2-ylmethyl)urea
CID 60530184
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]urea
CID 108898647
1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea
CID 52666869
3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55944966
1-[(3-bromophenyl)methyl]-3-(3-ethoxypropyl)urea
CID 108898807
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55889436
2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55933427
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea?
The IUPAC name of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea (CID 55934144) is 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea.
What is the SMILES notation for 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea?
The canonical SMILES for 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea is CNS(=O)(=O)c1cccc(CNC(=O)NCCCOCCc2ccccc2)c1.
What is the InChIKey of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea?
The InChIKey is QZLSFSFFKXUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-21-28(25,26)19-10-5-9-18(15-19)16-23-20(24)22-12-6-13-27-14-11-17-7-3-2-4-8-17/h2-5,7-10,15,21H,6,11-14,16H2,1H3,(H2,22,23,24).
What are the key properties of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea?
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea has a molecular weight of 405.52 g/mol, XLogP of 2.04, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea is sourced from PubChem (CID 55934144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).