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2-amino-6-ethyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-amino-6-ethyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS: 590376-43-5

Formula: C16H20N2O2S

SMILES: CCC1CCC2=C(C1)SC(N)=C2C(=O)NCC1=CC=CO1

IUPAC: 2-amino-6-ethyl-N-[(furan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C16H20N2O2S/c1-2-10-5-6-12-13(8-10)21-15(17)14(12)16(19)18-9-11-4-3-7-20-11/h3-4,7,10H,2,5-6,8-9,17H2,1H3,(H,18,19)

Composition: C (63.13%), H (6.62%), N (9.20%), O (10.51%), S (10.53%)

Molar Mass: 304.41

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 304.124549066
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey MSBRUHMKCMWNNO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.57
Topological Polar Surface Area 68.26
Polarizability 31.44
Ring Count 3
Rotatable Bond Count 4

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