1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea

C12H19N3O3S — CID 134528663

IUPAC1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea
SMILESCC(C)c1cccc(NC(=O)NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O3S/c1-9(2)10-6-5-7-11(8-10)13-12(16)14-19(17,18)15(3)4/h5-9H,1-4H3,(H2,13,14,16)
InChIKeyAEWXLAGQKWKSIO-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.74
Rot. Bonds4

About 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea

1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea (PubChem CID 134528663) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea
PubChem CID134528663
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea
SMILESCC(C)c1cccc(NC(=O)NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O3S/c1-9(2)10-6-5-7-11(8-10)13-12(16)14-19(17,18)15(3)4/h5-9H,1-4H3,(H2,13,14,16)
InChIKeyAEWXLAGQKWKSIO-UHFFFAOYSA-N
XLogP1.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
CID 47207398
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
CID 142547817

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea?
The IUPAC name of 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea (CID 134528663) is 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea is CC(C)c1cccc(NC(=O)NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea?
The InChIKey is AEWXLAGQKWKSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(2)10-6-5-7-11(8-10)13-12(16)14-19(17,18)15(3)4/h5-9H,1-4H3,(H2,13,14,16).
What are the key properties of 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea?
1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea has a molecular weight of 285.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea is sourced from PubChem (CID 134528663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).