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Chemical ID: 7435281
Chemical ID:
7435281
Name [?]:
N-[4-(ethylsulfamoyl)phenyl]-2-methyl-propanamide
SMILES [?]:
CCNS(=O)(=O)c1ccc(cc1)NC(=O)C(C)C
InChi [?]:
InChI=1/C12H18N2O3S/c1-4-13-18(16,17)11-7-5-10(6-8-11)14-12(15)9(2)3/h5-9,13H,4H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,9,11,8,12,16,10,7,14,3,13,15,5,6,4/E:(2,3)(5,6)(7,8)(16,17)/CRV:18.6/rA:18nCCNSOOCCCCCCNCOCCC/rB:s1;s2;s3;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O3S |
All Atoms: | 36 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80826 |
Area: | 463.2 |
Solvation: | -2.77173 |
Coulombic: | -32.0766 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.349 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.09 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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