N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide

C18H26N2O3S — CID 110295859

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N2O3S/c1-14-9-10-16(13-17(14)24(22,23)20(2)3)18(21)19-12-11-15-7-5-4-6-8-15/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,19,21)
InChIKeyITVJQPODWRUNGY-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide (PubChem CID 110295859) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
PubChem CID110295859
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N2O3S/c1-14-9-10-16(13-17(14)24(22,23)20(2)3)18(21)19-12-11-15-7-5-4-6-8-15/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,19,21)
InChIKeyITVJQPODWRUNGY-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664163
N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786498
N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001011
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide
CID 55581111
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414
3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide
CID 110288744
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide (CID 110295859) is N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide?
The InChIKey is ITVJQPODWRUNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-9-10-16(13-17(14)24(22,23)20(2)3)18(21)19-12-11-15-7-5-4-6-8-15/h7,9-10,13H,4-6,8,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide has a molecular weight of 350.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 110295859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).