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6-tert-butyl-2-(2,2-dimethylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-tert-butyl-2-(2,2-dimethylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C18H28N2O2S

SMILES: CC(C)(C)C1CCC2=C(C1)SC(NC(=O)C(C)(C)C)=C2C(N)=O

IUPAC: 6-tert-butyl-2-(2,2-dimethylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C18H28N2O2S/c1-17(2,3)10-7-8-11-12(9-10)23-15(13(11)14(19)21)20-16(22)18(4,5)6/h10H,7-9H2,1-6H3,(H2,19,21)(H,20,22)

Composition: C (64.25%), H (8.39%), N (8.33%), O (9.51%), S (9.53%)

Molar Mass: 336.49

Atom Count: 51

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 336.187149324
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QJDASIZKRQHFFS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 95.56
Topological Polar Surface Area 72.19
Polarizability 36.09
Ring Count 2
Rotatable Bond Count 4

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97% <7 Days C18H28N2O2S $46.75-$215.05$46.75$65.45$135.58$215.05
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