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Chemical ID: 7288602

CNS(=O)(=O)c1cccc(c1)C(=O)NCC2(CCCCC2)N3CCCCC3

Chemical ID:

7288602

Name [?]:

3-(methylsulfamoyl)-N-[[1-(1-piperidyl)cyclohexyl]methyl]benzamide

SMILES [?]:

CNS(=O)(=O)c1cccc(c1)C(=O)NCC2(CCCCC2)N3CCCCC3

InChi [?]:

InChI=1/C20H31N3O3S/c1-21-27(25,26)18-10-8-9-17(15-18)19(24)22-16-20(11-4-2-5-12-20)23-13-6-3-7-14-23/h8-10,15,21H,2-7,11-14,16H2,1H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,19,25,18,20,24,26,8,9,7,17,21,23,27,11,15,10,6,12,16,2,14,22,13,4,5,3/E:(4,5)(6,7)(11,12)(13,14)(25,26)/CRV:27.6/rA:27nCNSOOCCCCCCCONCCCCCCCNCCCCC/rB:s1;s2;d3;d3;s3;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;s16;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₁N₃O₃S
All Atoms:	58
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.965
Area:	602.669
Solvation:	-3.10171
Coulombic:	-39.4746

Bond Count [?]

All:	29
Single:	23
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	393.545
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.82
LogP (Chemaxon):	0.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value