N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide

C18H29N3O3S — CID 109063994

IUPACN-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H29N3O3S/c1-21(2)13-12-19-25(23,24)17-11-7-8-15(14-17)18(22)20-16-9-5-3-4-6-10-16/h7-8,11,14,16,19H,3-6,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyGCOXAUFBDWDIIH-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.98
Rot. Bonds7

About N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide

N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide (PubChem CID 109063994) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
PubChem CID109063994
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H29N3O3S/c1-21(2)13-12-19-25(23,24)17-11-7-8-15(14-17)18(22)20-16-9-5-3-4-6-10-16/h7-8,11,14,16,19H,3-6,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyGCOXAUFBDWDIIH-UHFFFAOYSA-N
XLogP1.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109063989
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
3-(tert-butylsulfamoyl)-N-cyclopentylbenzamide
CID 9214321
3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
CID 119987203
N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
N-cyclopentyl-3-(2-pyridin-2-ylethylsulfamoyl)benzamide
CID 72859318
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
CID 72855243
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
N-cyclopentyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 72867764

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The IUPAC name of N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide (CID 109063994) is N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The canonical SMILES for N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide is CN(C)CCNS(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The InChIKey is GCOXAUFBDWDIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-21(2)13-12-19-25(23,24)17-11-7-8-15(14-17)18(22)20-16-9-5-3-4-6-10-16/h7-8,11,14,16,19H,3-6,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide?
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide has a molecular weight of 367.52 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide is sourced from PubChem (CID 109063994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).