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Chemical ID: 5590617

Cc1ccc(c(c1)C)NS(=O)(=O)c2cc(ccc2C)NC(=O)Cc3coc4c3ccc(c4)OC

Chemical ID:

5590617

Name [?]:

N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-phenyl]-2-(6-methoxybenzofuran-3-yl)-acetamide

SMILES [?]:

Cc1ccc(c(c1)C)NS(=O)(=O)c2cc(ccc2C)NC(=O)Cc3coc4c3ccc(c4)OC

InChi [?]:

InChI=1/C26H26N2O5S/c1-16-5-10-23(18(3)11-16)28-34(30,31)25-13-20(7-6-17(25)2)27-26(29)12-19-15-33-24-14-21(32-4)8-9-22(19)24/h5-11,13-15,28H,12H2,1-4H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,19,8,34,3,17,16,30,29,4,7,23,14,32,25,2,18,6,24,15,31,28,5,27,13,21,20,9,22,11,12,33,26,10/E:(30,31)/CRV:34.6/rA:34nCCCCCCCCNSOOCCCCCCCNCOCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;s20;d21;s21;s23;d24;s25;s26;s24s27;d28;s29;d30;d27s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₆N₂O₅S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0544
Area:	698.72
Solvation:	-6.41361
Coulombic:	-44.9616

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	478.561
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.26
LogP (Chemaxon):	5.51

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