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Chemical ID: 5373979

CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)CS(=O)(=O)c3ccc4ccccc4c3

Chemical ID:

5373979

Name [?]:

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2-naphthylsulfonyl)acetamide

SMILES [?]:

CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)CS(=O)(=O)c3ccc4ccccc4c3

InChi [?]:

InChI=1/C24H25N3O4S/c1-18(28)26-12-14-27(15-13-26)22-9-7-21(8-10-22)25-24(29)17-32(30,31)23-11-6-19-4-2-3-5-20(19)16-23/h2-11,16H,12-15,17H2,1H3,(H,25,29)

InChi Info:

AuxInfo=1/1/N:1,28,29,27,30,25,12,14,11,15,24,5,9,6,8,32,19,2,26,31,13,10,23,17,16,4,7,3,18,21,22,20/E:(7,8)(9,10)(12,13)(14,15)(30,31)/CRV:32.6/rA:32nCCONCCNCCCCCCCCNCOCSOOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;d20;d20;s20;s23;d24;s25;s26;d27;s28;d29;d26s30;d23s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅N₃O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.92818
Area:	676.639
Solvation:	-6.98778
Coulombic:	-43.2662

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	451.539
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.57
LogP (Chemaxon):	2.64

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