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Chemical ID: 5976250
Chemical ID:
5976250
Name [?]:
N-[4-dimethylamino-3-(propylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N(C)C)NC(=O)c2cccs2
InChi [?]:
InChI=1/C17H21N3O2S/c1-4-9-18-16(21)13-11-12(7-8-14(13)20(2)3)19-17(22)15-6-5-10-23-15/h5-8,10-11H,4,9H2,1-3H3,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,21,20,10,11,3,22,8,9,7,12,19,5,17,4,16,13,6,18,23/E:(2,3)/rA:23nCCCNCOCCCCCCNCCNCOCCCCS/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s13;s9;s16;d17;s17;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N3O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3526 |
Area: | 557.813 |
Solvation: | -3.59269 |
Coulombic: | -49.4538 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 331.434 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.41 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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