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Chemical ID: 5477173

Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)NCCc3ccc(cc3)OC

Chemical ID:

5477173

Name [?]:

N-[2-(4-methoxyphenyl)ethyl]-4-(p-tolylsulfonylamino)benzamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)NCCc3ccc(cc3)OC

InChi [?]:

InChI=1/C23H24N2O4S/c1-17-3-13-22(14-4-17)30(27,28)25-20-9-7-19(8-10-20)23(26)24-16-15-18-5-11-21(29-2)12-6-18/h3-14,25H,15-16H2,1-2H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,30,3,7,24,28,14,16,13,17,25,27,4,6,22,21,2,23,15,12,26,5,18,20,11,19,9,10,29,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(27,28)/CRV:30.6/rA:30nCCCCCCCSOONCCCCCCCONCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄N₂O₄S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0914
Area:	666.806
Solvation:	-4.57869
Coulombic:	-42.9631

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.514
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.34
LogP (Chemaxon):	3.75

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