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Chemical ID: 4184692
Chemical ID:
4184692
Name [?]:
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILES [?]:
COc1ccc(cc1NC(=O)c2cccs2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C19H16N2O3S/c1-24-16-10-9-13(18(22)20-14-6-3-2-4-7-14)12-15(16)21-19(23)17-8-5-11-25-17/h2-12H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,14,21,25,13,5,4,15,7,6,20,8,3,12,17,10,19,9,18,11,2,16/E:(3,4)(6,7)/rA:25nCOCCCCCCNCOCCCCSCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s6;d17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0433 |
Area: | 564.235 |
Solvation: | -4.06255 |
Coulombic: | -51.9097 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.408 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.9 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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