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Chemical ID: 4389870

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCCc2ccc(c(c2)OC)OC)C3CCCCC3

Chemical ID:

4389870

Name [?]:

2-(cyclohexyl-(p-tolylsulfonyl)amino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCCc2ccc(c(c2)OC)OC)C3CCCCC3

InChi [?]:

InChI=1/C25H34N2O5S/c1-19-9-12-22(13-10-19)33(29,30)27(21-7-5-4-6-8-21)18-25(28)26-16-15-20-11-14-23(31-2)24(17-20)32-3/h9-14,17,21H,4-8,15-16,18H2,1-3H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,27,25,31,30,32,29,33,3,7,19,4,6,20,17,16,23,12,2,18,28,5,21,22,13,15,11,14,9,10,26,24,8/E:(5,6)(7,8)(9,10)(12,13)(29,30)/CRV:33.6/rA:33cCCCCCCCSOONCCONCCCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s11;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄N₂O₅S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6307
Area:	719.899
Solvation:	-7.36683
Coulombic:	-43.4174

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	474.614
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.98
LogP (Chemaxon):	3.67

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