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Chemical ID: 4066497
Chemical ID:
4066497
Name [?]:
N-[4-(1-methylhexylsulfamoyl)phenyl]acetamide
SMILES [?]:
CCCCCC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)C
InChi [?]:
InChI=1/C15H24N2O3S/c1-4-5-6-7-12(2)17-21(19,20)15-10-8-14(9-11-15)16-13(3)18/h8-12,17H,4-7H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,21,2,3,4,5,14,16,13,17,6,19,15,12,18,8,20,10,11,9/E:(8,9)(10,11)(19,20)/CRV:21.6/rA:21cCCCCCCCNSOOCCCCCCNCOC/rB:s1;s2;s3;s4;s5;s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1335 |
Area: | 522.05 |
Solvation: | -2.91773 |
Coulombic: | -32.2937 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.429 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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