N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide

C17H25N3O4S — CID 17248855

IUPACN'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-20(2)25(23,24)15-10-8-13(9-11-15)12-18-16(21)17(22)19-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyJACDLVVUZJJAPY-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.00
Rot. Bonds5

About N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide

N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide (PubChem CID 17248855) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide
PubChem CID17248855
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-20(2)25(23,24)15-10-8-13(9-11-15)12-18-16(21)17(22)19-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyJACDLVVUZJJAPY-UHFFFAOYSA-N
XLogP1.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
CID 111071863
1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea
CID 9283585
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide
CID 17248911
N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144930
1-cyclopentyl-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 110989791
1-cyclopentyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 110990034
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119735471
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119295965
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768
4-(cyclohexylamino)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011671

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide (CID 17248855) is N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide?
The InChIKey is JACDLVVUZJJAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-20(2)25(23,24)15-10-8-13(9-11-15)12-18-16(21)17(22)19-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide?
N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide has a molecular weight of 367.47 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide is sourced from PubChem (CID 17248855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).