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Chemical ID: 6332156

Cc1ccc(cc1)CNC(=O)CN(C2CCCCC2)S(=O)(=O)c3ccc(c(c3)OC)OC

Chemical ID:

6332156

Name [?]:

2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonyl-amino]-N-(p-tolylmethyl)acetamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)CN(C2CCCCC2)S(=O)(=O)c3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C24H32N2O5S/c1-18-9-11-19(12-10-18)16-25-24(27)17-26(20-7-5-4-6-8-20)32(28,29)21-13-14-22(30-2)23(15-21)31-3/h9-15,20H,4-8,16-17H2,1-3H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,32,30,17,16,18,15,19,3,7,4,6,24,25,28,8,12,2,5,14,23,26,27,10,9,13,11,21,22,31,29,20/E:(5,6)(7,8)(9,10)(11,12)(28,29)/CRV:32.6/rA:32cCCCCCCCCNCOCNCCCCCCSOOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s13;d20;d20;s20;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₂O₅S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7832
Area:	676.264
Solvation:	-6.12345
Coulombic:	-43.8024

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	460.587
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.82
LogP (Chemaxon):	3.42

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