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Chemical ID: 6168400
Chemical ID:
6168400
Name [?]:
N-(1-isopropyl-2-methyl-propyl)-2-(methylsulfonyl-(1-naphthyl)amino)-acetamide
SMILES [?]:
CC(C)C(C(C)C)NC(=O)CN(c1cccc2c1cccc2)S(=O)(=O)C
InChi [?]:
InChI=1/C20H28N2O3S/c1-14(2)20(15(3)4)21-19(23)13-22(26(5,24)25)18-12-8-10-16-9-6-7-11-17(16)18/h6-12,14-15,20H,13H2,1-5H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,26,21,20,15,22,16,19,14,11,2,5,17,18,13,9,4,8,12,10,24,25,23/E:(1,2,3,4)(14,15)(24,25)/CRV:26.6/rA:26cCCCCCCCNCOCNCCCCCCCCCCSOOC/rB:s1;s2;s2;s4;s5;s5;s4;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s12;d23;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8898 |
Area: | 556.139 |
Solvation: | -3.01365 |
Coulombic: | -29.1452 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.514 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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