Chemical ID: 4416416

CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)c2cccs2
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

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