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

C18H23N3O3S — CID 2812298

IUPAC1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
SMILESCc1cc(C)cc(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1
InChIInChI=1S/C18H23N3O3S/c1-12-8-13(2)10-15(9-12)19-18(22)20-17-11-16(7-6-14(17)3)25(23,24)21(4)5/h6-11H,1-5H3,(H2,19,20,22)
InChIKeyCHGGHWRLXQQEOU-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.51
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea (PubChem CID 2812298) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
PubChem CID2812298
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
SMILESCc1cc(C)cc(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1
InChIInChI=1S/C18H23N3O3S/c1-12-8-13(2)10-15(9-12)19-18(22)20-17-11-16(7-6-14(17)3)25(23,24)21(4)5/h6-11H,1-5H3,(H2,19,20,22)
InChIKeyCHGGHWRLXQQEOU-UHFFFAOYSA-N
XLogP3.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea (CID 2812298) is 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea is Cc1cc(C)cc(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea?
The InChIKey is CHGGHWRLXQQEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-8-13(2)10-15(9-12)19-18(22)20-17-11-16(7-6-14(17)3)25(23,24)21(4)5/h6-11H,1-5H3,(H2,19,20,22).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea?
1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea has a molecular weight of 361.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea is sourced from PubChem (CID 2812298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).