N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

C18H27N3O3S — CID 92664163

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-20(2)25(23,24)21(3)17-11-9-16(10-12-17)18(22)19-14-13-15-7-5-4-6-8-15/h7,9-12H,4-6,8,13-14H2,1-3H3,(H,19,22)
InChIKeyOQEZCGHFBYFQOT-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.55
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (PubChem CID 92664163) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
PubChem CID92664163
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-20(2)25(23,24)21(3)17-11-9-16(10-12-17)18(22)19-14-13-15-7-5-4-6-8-15/h7,9-12H,4-6,8,13-14H2,1-3H3,(H,19,22)
InChIKeyOQEZCGHFBYFQOT-UHFFFAOYSA-N
XLogP2.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.55
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

N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990
N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001011
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786498
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109052475

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (CID 92664163) is N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The InChIKey is OQEZCGHFBYFQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-20(2)25(23,24)21(3)17-11-9-16(10-12-17)18(22)19-14-13-15-7-5-4-6-8-15/h7,9-12H,4-6,8,13-14H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide has a molecular weight of 365.50 g/mol, XLogP of 2.55, 7 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]-4-[dimethylsulfamoyl(methyl)amino]benzamide is sourced from PubChem (CID 92664163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).