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Chemical ID: 5526929
Chemical ID:
5526929
Name [?]:
N-(4-tert-butylphenyl)thiophene-2-carboxamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)c2cccs2
InChi [?]:
InChI=1/C15H17NOS/c1-15(2,3)11-6-8-12(9-7-11)16-14(17)13-5-4-10-18-13/h4-10H,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,15,6,10,7,9,17,5,8,14,12,2,11,13,18/E:(1,2,3)(6,7)(8,9)/rA:18nCCCCCCCCCCNCOCCCCS/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NOS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85976 |
Area: | 455.69 |
Solvation: | -1.53249 |
Coulombic: | -24.4245 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.84 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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