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Chemical ID: 5431435
Chemical ID:
5431435
Name [?]:
N-(3-hydroxypropyl)-2-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]-acetamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)N(C)CC(=O)NCCCO)OC
InChi [?]:
InChI=1/C14H22N2O5S/c1-11-5-6-12(21-3)13(9-11)22(19,20)16(2)10-14(18)15-7-4-8-17/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,12,22,18,3,4,17,19,7,13,2,5,6,14,16,11,20,15,9,10,21,8/E:(19,20)/CRV:22.6/rA:22cCCCCCCCSOONCCCONCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s11;s13;d14;s14;s16;s17;s18;s19;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O5S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.462 |
Area: | 517.63 |
Solvation: | -5.47875 |
Coulombic: | -51.2293 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 330.401 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.28 |
LogP (Chemaxon): | -0.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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