1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea

C17H27N3O3S — CID 41468178

IUPAC1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H27N3O3S/c1-13-8-4-6-10-15(13)19-17(21)18-12-14-9-5-7-11-16(14)24(22,23)20(2)3/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3,(H2,18,19,21)/t13-,15-/m1/s1
InChIKeyMHYQCFRMDDKNKD-UKRRQHHQSA-N
MW353.49 g/mol
LogP2.31
Rot. Bonds5

About 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea (PubChem CID 41468178) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea
PubChem CID41468178
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H27N3O3S/c1-13-8-4-6-10-15(13)19-17(21)18-12-14-9-5-7-11-16(14)24(22,23)20(2)3/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3,(H2,18,19,21)/t13-,15-/m1/s1
InChIKeyMHYQCFRMDDKNKD-UKRRQHHQSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea with MolForge

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 16622876
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 26247678
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide
CID 136520483
(1S,2S,4S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98681836
(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98341757
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-pentylurea
CID 134001741
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41430913
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276884
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41181880
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
CID 125145081

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea?
The IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea (CID 41468178) is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea.
What is the SMILES notation for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea?
The canonical SMILES for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea is C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea?
The InChIKey is MHYQCFRMDDKNKD-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-8-4-6-10-15(13)19-17(21)18-12-14-9-5-7-11-16(14)24(22,23)20(2)3/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3,(H2,18,19,21)/t13-,15-/m1/s1.
What are the key properties of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea?
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea has a molecular weight of 353.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea is sourced from PubChem (CID 41468178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).