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Chemical ID: 6157296
Chemical ID:
6157296
Name [?]:
3-cyclohexyl-N-[4-(tert-butylsulfamoyl)phenyl]-propanamide
SMILES [?]:
CC(C)(C)NS(=O)(=O)c1ccc(cc1)NC(=O)CCC2CCCCC2
InChi [?]:
InChI=1/C19H30N2O3S/c1-19(2,3)21-25(23,24)17-12-10-16(11-13-17)20-18(22)14-9-15-7-5-4-6-8-15/h10-13,15,21H,4-9,14H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,22,24,21,25,19,11,13,10,14,18,20,12,9,16,2,15,5,17,7,8,6/E:(1,2,3)(5,6)(7,8)(10,11)(12,13)(23,24)/CRV:25.6/rA:25nCCCCNSOOCCCCCCNCOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6733 |
Area: | 577.708 |
Solvation: | -2.76942 |
Coulombic: | -33.1771 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.519 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.69 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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