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Chemical ID: 7321723
Chemical ID:
7321723
Name [?]:
5-ethyl-4-methyl-N-phenyl-thiophene-2-carboxamide
SMILES [?]:
CCc1c(cc(s1)C(=O)Nc2ccccc2)C
InChi [?]:
InChI=1/C14H15NOS/c1-3-12-10(2)9-13(17-12)14(16)15-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,2,14,13,15,12,16,5,4,11,3,6,8,10,9,7/E:(5,6)(7,8)/rA:17nCCCCCCSCONCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NOS |
All Atoms: | 32 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5314 |
Area: | 440.314 |
Solvation: | -1.47645 |
Coulombic: | -23.8995 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.27 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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