Chemical ID: 6168400

CC(C)C(C(C)C)NC(=O)CN(c1cccc2c1cccc2)S(=O)(=O)C
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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Descriptor Annotations

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