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Chemical ID: 6471187

CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2

Chemical ID:

6471187

Name [?]:

N-[4-(thiazol-2-ylsulfamoyl)phenyl]hexadecanamide

SMILES [?]:

CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2

InChi [?]:

InChI=1/C25H39N3O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(29)27-22-16-18-23(19-17-22)33(30,31)28-25-26-20-21-32-25/h16-21H,2-15H2,1H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,20,24,21,23,31,32,19,22,16,29,30,18,28,17,26,27,33,25/E:(16,17)(18,19)(30,31)/CRV:33.6/rA:33nCCCCCCCCCCCCCCCCONCCCCCCSOONCNCCS/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;d25;d25;s25;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₉N₃O₃S₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	17.1402
Area:	827.064
Solvation:	-3.53636
Coulombic:	-40.5243

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	19
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	493.728
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	6.71
LogP (Chemaxon):	4.51

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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