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Chemical ID: 6170120
Chemical ID:
6170120
Name [?]:
N-(4-ethoxyphenyl)-N-[1-[(4-methyl-1-piperidyl)carbonyl]ethyl]methanesulfonamide
SMILES [?]:
CCOc1ccc(cc1)N(C(C)C(=O)N2CCC(CC2)C)S(=O)(=O)C
InChi [?]:
InChI=1/C18H28N2O4S/c1-5-24-17-8-6-16(7-9-17)20(25(4,22)23)15(3)18(21)19-12-10-14(2)11-13-19/h6-9,14-15H,5,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,12,25,2,6,8,5,9,17,19,16,20,18,11,7,4,13,15,10,14,23,24,3,22/E:(6,7)(8,9)(10,11)(12,13)(22,23)/CRV:25.6/rA:25cCCOCCCCCCNCCCONCCCCCCSOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;s13;s15;s16;s17;s18;s15s19;s18;s10;d22;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.35286 |
Area: | 560.528 |
Solvation: | -4.66035 |
Coulombic: | -29.1093 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.492 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.38 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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