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Chemical ID: 6500467

Cc1ccc(cc1C)N(CC(=O)NC(c2ccccc2)c3ccc(cc3)OC)S(=O)(=O)c4ccccc4

Chemical ID:

6500467

Name [?]:

2-[(3,4-dimethylphenyl)-phenylsulfonyl-amino]-N-[(4-methoxyphenyl)-phenyl-methyl]-acetamide

SMILES [?]:

Cc1ccc(cc1C)N(CC(=O)NC(c2ccccc2)c3ccc(cc3)OC)S(=O)(=O)c4ccccc4

InChi [?]:

InChI=1/C30H30N2O4S/c1-22-14-17-26(20-23(22)2)32(37(34,35)28-12-8-5-9-13-28)21-29(33)31-30(24-10-6-4-7-11-24)25-15-18-27(36-3)19-16-25/h4-20,30H,21H2,1-3H3,(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,8,28,18,35,17,19,34,36,16,20,33,37,3,22,26,4,23,25,6,10,2,7,15,21,5,24,32,11,14,13,9,12,30,31,27,29/E:(6,7)(8,9)(10,11)(12,13)(15,16)(18,19)(34,35)/CRV:37.6/rA:37cCCCCCCCCNCCONCCCCCCCCCCCCCOCSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s14;s21;d22;s23;d24;d21s25;s24;s27;s9;d29;d29;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₀N₂O₄S
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	2

ZAP Information [?]

Total:	12.4167
Area:	734.457
Solvation:	-5.94468
Coulombic:	-38.9758

Bond Count [?]

All:	40
Single:	25
Double:	15
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	514.636
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.52
LogP (Chemaxon):	6.08

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