Chemical ID: 5452299

Cc1ccc(c(c1)S(=O)(=O)N(C)CC(=O)NC2CCCCCC2)OC
Chemical ID:
5452299
Name [?]:
N-cycloheptyl-2-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]-acetamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)N(C)CC(=O)NC2CCCCCC2)OC
InChi [?]:
InChI=1/C18H28N2O4S/c1-14-10-11-16(24-3)17(12-14)25(22,23)20(2)13-18(21)19-15-8-6-4-5-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,12,25,20,21,19,22,18,23,3,4,7,13,2,17,5,6,14,16,11,15,9,10,24,8/E:(4,5)(6,7)(8,9)(22,23)/CRV:25.6/rA:25cCCCCCCCSOONCCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s11;s13;d14;s14;s16;s17;s18;s19;s20;s21;s17s22;s5;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.68201
Area:550.295
Solvation:-4.07535
Coulombic:-36.2451
Bond Count [?]
All:26
Single:20
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.492
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.03
LogP (Chemaxon):2.29

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Descriptor Annotations

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