ChemDB: Chemical Search
Download
Chemical ID: 5870594
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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 |
---|