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Chemical ID: 5504804
Chemical ID:
5504804
Name [?]:
3-methyl-N-(4-tert-butylphenyl)-thiophene-2-carboxamide
SMILES [?]:
Cc1ccsc1C(=O)Nc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C16H19NOS/c1-11-9-10-19-14(11)15(18)17-13-7-5-12(6-8-13)16(2,3)4/h5-10H,1-4H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,19,12,14,11,15,3,4,2,13,10,6,7,16,9,8,5/E:(2,3,4)(5,6)(7,8)/rA:19nCCCCSCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NOS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3518 |
Area: | 472.17 |
Solvation: | -1.4524 |
Coulombic: | -24.397 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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