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Chemical ID: 7499283

CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)OCCOc3ccccc3

Chemical ID:

7499283

Name [?]:

N-[4-(diethylsulfamoyl)phenyl]-4-(2-phenoxyethoxy)benzamide

SMILES [?]:

CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)OCCOc3ccccc3

InChi [?]:

InChI=1/C25H28N2O5S/c1-3-27(4-2)33(29,30)24-16-12-21(13-17-24)26-25(28)20-10-14-23(15-11-20)32-19-18-31-22-8-6-5-7-9-22/h5-17H,3-4,18-19H2,1-2H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,31,30,32,29,33,19,23,11,13,20,22,10,14,26,25,18,12,28,21,9,16,15,3,17,7,8,27,24,6/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(29,30)/CRV:33.6/rA:33nCCNCCSOOCCCCCCNCOCCCCCCOCCOCCCCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈N₂O₅S
All Atoms:	61
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8339
Area:	722.394
Solvation:	-6.226
Coulombic:	-44.5067

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	468.566
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.3
LogP (Chemaxon):	4.28

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

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Chemical Mix	Source	External ID	Descriptor	Value