1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea

C18H23N3O4S — CID 2812297

IUPAC1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C18H23N3O4S/c1-5-25-17-9-7-6-8-15(17)19-18(22)20-16-12-14(11-10-13(16)2)26(23,24)21(3)4/h6-12H,5H2,1-4H3,(H2,19,20,22)
InChIKeyLITRNSCUBZBATB-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.29
Rot. Bonds6

About 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea

1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea (PubChem CID 2812297) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
PubChem CID2812297
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C18H23N3O4S/c1-5-25-17-9-7-6-8-15(17)19-18(22)20-16-12-14(11-10-13(16)2)26(23,24)21(3)4/h6-12H,5H2,1-4H3,(H2,19,20,22)
InChIKeyLITRNSCUBZBATB-UHFFFAOYSA-N
XLogP3.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea (CID 2812297) is 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is LITRNSCUBZBATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-5-25-17-9-7-6-8-15(17)19-18(22)20-16-12-14(11-10-13(16)2)26(23,24)21(3)4/h6-12H,5H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea?
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 377.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 2812297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).