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Chemical ID: 5104983

Cc1ccc(cc1)S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc3ccc(cc3)N(C)C

Chemical ID:

5104983

Name [?]:

N-[(4-dimethylaminophenyl)methyleneamino]-2-(phenethyl-(p-tolylsulfonyl)amino)-acetamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc3ccc(cc3)N(C)C

InChi [?]:

InChI=1/C26H30N4O3S/c1-21-9-15-25(16-10-21)34(32,33)30(18-17-22-7-5-4-6-8-22)20-26(31)28-27-19-23-11-13-24(14-12-23)29(2)3/h4-16,19H,17-18,20H2,1-3H3,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,33,34,17,16,18,15,19,3,7,27,31,28,30,4,6,13,12,25,20,2,14,26,29,5,21,24,23,32,11,22,9,10,8/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(32,33)/CRV:34.6/rA:34cCCCCCCCSOONCCCCCCCCCCONNCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s11;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s29;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₀N₄O₃S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.2673
Area:	737.262
Solvation:	-5.16427
Coulombic:	-34.3172

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	478.608
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.36
LogP (Chemaxon):	5.16

Name Annotations

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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