1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea

C16H25N3O3S — CID 47032176

IUPAC1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCS(=O)(=O)N1CCC(NC(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-23(21,22)19-7-5-14(6-8-19)17-16(20)18-15-10-12(2)9-13(3)11-15/h9-11,14H,4-8H2,1-3H3,(H2,17,18,20)
InChIKeyGTLYVOXDSSGEHS-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.24
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea

1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea (PubChem CID 47032176) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
PubChem CID47032176
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCS(=O)(=O)N1CCC(NC(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-23(21,22)19-7-5-14(6-8-19)17-16(20)18-15-10-12(2)9-13(3)11-15/h9-11,14H,4-8H2,1-3H3,(H2,17,18,20)
InChIKeyGTLYVOXDSSGEHS-UHFFFAOYSA-N
XLogP2.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3220766
ethyl 4-[(1-propylsulfonylpiperidin-4-yl)carbamoylamino]benzoate
CID 47039944
1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]-3-phenylurea
CID 110638075
methyl 3-[(1-propylsulfonylpiperidin-4-yl)carbamoylamino]benzoate
CID 47040076
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
1-(2,5-dimethylphenyl)-3-(1-propylsulfonylpiperidin-4-yl)thiourea
CID 43077031
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884
ethyl 5-[(1-propylsulfonylpiperidin-4-yl)carbamoylamino]-1-benzothiophene-2-carboxylate
CID 55740830
1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
CID 143846785
1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 71931720
1-(9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)urea
CID 3217212

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea (CID 47032176) is 1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea is CCS(=O)(=O)N1CCC(NC(=O)Nc2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The InChIKey is GTLYVOXDSSGEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-23(21,22)19-7-5-14(6-8-19)17-16(20)18-15-10-12(2)9-13(3)11-15/h9-11,14H,4-8H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea?
1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea has a molecular weight of 339.46 g/mol, XLogP of 2.24, 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-(1-ethylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 47032176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).