Chemical ID: 7258841

Cc1ccc(cc1C)S(=O)(=O)N(CC(=O)NC(C)COC)c2cccc3c2cccc3
Chemical ID:
7258841
Name [?]:
2-[(3,4-dimethylphenyl)sulfonyl-(1-naphthyl)amino]-N-(2-methoxy-1-methyl-ethyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)S(=O)(=O)N(CC(=O)NC(C)COC)c2cccc3c2cccc3
InChi [?]:
InChI=1/C24H28N2O4S/c1-17-12-13-21(14-18(17)2)31(28,29)26(15-24(27)25-19(3)16-30-4)23-11-7-9-20-8-5-6-10-22(20)23/h5-14,19H,15-16H2,1-4H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,18,21,30,29,24,31,25,28,23,3,4,6,13,19,2,7,17,26,5,27,22,14,16,12,15,10,11,20,9/E:(28,29)/CRV:31.6/rA:31cCCCCCCCCSOONCCONCCCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s14;s16;s17;s17;s19;s20;s12;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O4S
All Atoms:59
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:11.0068
Area:639.679
Solvation:-4.98514
Coulombic:-38.1964
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:440.556
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.86
LogP (Chemaxon):3.96

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Descriptor Annotations

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