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Chemical ID: 7291502
Chemical ID:
7291502
Name [?]:
N-[(4-fluorophenyl)methylcarbamoylmethyl]thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)NCC(=O)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C14H13FN2O2S/c15-11-5-3-10(4-6-11)8-16-13(18)9-17-14(19)12-2-1-7-20-12/h1-7H,8-9H2,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,15,19,16,18,5,13,9,14,17,3,10,6,20,12,8,11,7,4/E:(3,4)(5,6)/rA:20nCCCSCCONCCONCCCCCCCF/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13FN2O2S |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00928 |
Area: | 498.971 |
Solvation: | -3.46499 |
Coulombic: | -48.3625 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 292.33 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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