3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide

C18H29N3O3S — CID 119987203

IUPAC3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCCNC2CCCCCC2)c1
InChIInChI=1S/C18H29N3O3S/c1-21(2)18(22)15-8-7-11-17(14-15)25(23,24)20-13-12-19-16-9-5-3-4-6-10-16/h7-8,11,14,16,19-20H,3-6,9-10,12-13H2,1-2H3
InChIKeyRHOXIUDVUVDEIE-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.98
Rot. Bonds7

About 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide

3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide (PubChem CID 119987203) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
PubChem CID119987203
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCCNC2CCCCCC2)c1
InChIInChI=1S/C18H29N3O3S/c1-21(2)18(22)15-8-7-11-17(14-15)25(23,24)20-13-12-19-16-9-5-3-4-6-10-16/h7-8,11,14,16,19-20H,3-6,9-10,12-13H2,1-2H3
InChIKeyRHOXIUDVUVDEIE-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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 119987331
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide
CID 77082477
N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994662
3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 119986214
N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 47789881
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide (CID 119987203) is 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(S(=O)(=O)NCCNC2CCCCCC2)c1.
What is the InChIKey of 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is RHOXIUDVUVDEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-21(2)18(22)15-8-7-11-17(14-15)25(23,24)20-13-12-19-16-9-5-3-4-6-10-16/h7-8,11,14,16,19-20H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide?
3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide 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 3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 119987203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).