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Chemical ID: 4416416
Chemical ID:
4416416
Name [?]:
N-[4-(tert-butylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)c2cccs2
InChi [?]:
InChI=1/C16H18N2O2S/c1-16(2,3)18-14(19)11-6-8-12(9-7-11)17-15(20)13-5-4-10-21-13/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,18,9,13,10,12,20,8,11,17,6,15,2,14,5,7,16,21/E:(1,2,3)(6,7)(8,9)/rA:21nCCCCNCOCCCCCCNCOCCCCS/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;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: | 10.5224 |
Area: | 510.941 |
Solvation: | -2.25117 |
Coulombic: | -44.9257 |
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: | 2.72 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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