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Chemical ID: 7492383
Chemical ID:
7492383
Name [?]:
N-[2-(propylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILES [?]:
CCCNC(=O)c1ccccc1NC(=O)c2cccs2
InChi [?]:
InChI=1/C15H16N2O2S/c1-2-9-16-14(18)11-6-3-4-7-12(11)17-15(19)13-8-5-10-20-13/h3-8,10H,2,9H2,1H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,18,8,11,17,3,19,7,12,16,5,14,4,13,6,15,20/rA:20nCCCNCOCCCCCCNCOCCCCS/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O2S |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0747 |
Area: | 491.919 |
Solvation: | -2.22327 |
Coulombic: | -45.5794 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 288.366 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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