Chemical ID: 5504804

Cc1ccsc1C(=O)Nc2ccc(cc2)C(C)(C)C
Chemical ID:
5504804
Name [?]:
3-methyl-N-(4-tert-butylphenyl)-thiophene-2-carboxamide
SMILES [?]:
Cc1ccsc1C(=O)Nc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C16H19NOS/c1-11-9-10-19-14(11)15(18)17-13-7-5-12(6-8-13)16(2,3)4/h5-10H,1-4H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,19,12,14,11,15,3,4,2,13,10,6,7,16,9,8,5/E:(2,3,4)(5,6)(7,8)/rA:19nCCCCSCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NOS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.3518
Area:472.17
Solvation:-1.4524
Coulombic:-24.397
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:273.394
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.98
LogP (Chemaxon):4.61

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