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Chemical ID: 3639793
Chemical ID:
3639793
Name [?]:
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C(C)C)NC(=O)c2cccs2
InChi [?]:
InChI=1/C16H18N2O2S/c1-10(2)15(19)18-13-9-12(7-6-11(13)3)17-16(20)14-5-4-8-21-14/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:12,13,1,19,18,3,4,20,6,11,2,5,7,17,9,15,14,8,10,16,21/E:(1,2)/rA:21nCCCCCCCNCOCCCNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s5;s14;d15;s15;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2213 |
Area: | 512.403 |
Solvation: | -2.5888 |
Coulombic: | -42.7632 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.392 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.04 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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