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Chemical ID: 6513975

Cc1ccc(cc1)N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c4ccc(cc4)C

Chemical ID:

6513975

Name [?]:

N-(2-naphthyl)-2-(p-tolyl-(p-tolylsulfonyl)amino)-acetamide

SMILES [?]:

Cc1ccc(cc1)N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c4ccc(cc4)C

InChi [?]:

InChI=1/C26H24N2O3S/c1-19-7-13-24(14-8-19)28(32(30,31)25-15-9-20(2)10-16-25)18-26(29)27-23-12-11-21-5-3-4-6-22(21)17-23/h3-17H,18H2,1-2H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,32,18,19,17,20,3,7,28,30,15,14,4,6,27,31,22,9,2,29,16,21,13,5,26,10,12,8,11,24,25,23/E:(7,8)(9,10)(13,14)(15,16)(30,31)/CRV:32.6/rA:32cCCCCCCCNCCONCCCCCCCCCCSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s8;d23;d23;s23;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₂O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3761
Area:	665.62
Solvation:	-4.26438
Coulombic:	-30.3015

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	444.546
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.16
LogP (Chemaxon):	5.87

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