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Chemical ID: 5889956

CC1CCN(CC1)c2ccc(cc2C(=O)NC(C)C)NS(=O)(=O)c3ccc(cc3)C(C)(C)C

Chemical ID:

5889956

Name [?]:

N-isopropyl-2-(4-methyl-1-piperidyl)-5-(4-tert-butylphenyl)sulfonylamino-benzamide

SMILES [?]:

CC1CCN(CC1)c2ccc(cc2C(=O)NC(C)C)NS(=O)(=O)c3ccc(cc3)C(C)(C)C

InChi [?]:

InChI=1/C26H37N3O3S/c1-18(2)27-25(30)23-17-21(9-12-24(23)29-15-13-19(3)14-16-29)28-33(31,32)22-10-7-20(8-11-22)26(4,5)6/h7-12,17-19,28H,13-16H2,1-6H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:18,19,1,31,32,33,26,28,10,25,29,9,3,7,4,6,12,17,2,27,11,24,13,8,14,30,16,20,5,15,22,23,21/E:(1,2)(4,5,6)(7,8)(10,11)(13,14)(15,16)(31,32)/CRV:33.6/rA:33nCCCCNCCCCCCCCCONCCCNSOOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s17;s11;s20;d21;d21;s21;s24;d25;s26;d27;d24s28;s27;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₇N₃O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.185
Area:	714.254
Solvation:	-3.67133
Coulombic:	-41.133

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	471.656
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.4
LogP (Chemaxon):	5.21

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