Chemical ID: 5870594

Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCC(C)C
Chemical ID:
5870594
Name [?]:
N-isopentyl-3-phenyl-2-(p-tolylsulfonylamino)propanamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C21H28N2O3S/c1-16(2)13-14-22-21(24)20(15-18-7-5-4-6-8-18)23-27(25,26)19-11-9-17(3)10-12-19/h4-12,16,20,23H,13-15H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:26,27,1,17,16,18,15,19,3,7,4,6,24,23,13,25,2,14,5,12,20,22,11,21,9,10,8/E:(1,2)(5,6)(7,8)(9,10)(11,12)(25,26)/CRV:27.6/rA:27cCCCCCCCSOONCCCCCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s12;d20;s20;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.9435
Area:589.871
Solvation:-3.80331
Coulombic:-35.6207
Bond Count [?]
All:28
Single:19
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:388.525
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.31
LogP (Chemaxon):4.08

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Descriptor Annotations

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