Chemical ID: 4781997

CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(s2)C(C)(C)C
Chemical ID:
4781997
Name [?]:
5-tert-butyl-N-(4-tert-butylphenyl)-thiophene-2-carboxamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(s2)C(C)(C)C
InChi [?]:
InChI=1/C19H25NOS/c1-18(2,3)13-7-9-14(10-8-13)20-17(21)15-11-12-16(22-15)19(4,5)6/h7-12H,1-6H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,21,22,6,10,7,9,15,16,5,8,14,17,12,2,19,11,13,18/E:(1,2,3)(4,5,6)(7,8)(9,10)/rA:22nCCCCCCCCCCNCOCCCCSCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25NOS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.5306
Area:538.262
Solvation:-1.92597
Coulombic:-24.7793
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:315.474
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.43
LogP (Chemaxon):5.52

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