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

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

CAS: 329069-00-3

Formula: C17H20N2O2S

SMILES: CCOC1=CC=CC=C1NC(=O)C1=C(N)SC2=C1CCCC2

IUPAC: 2-amino-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1S/C17H20N2O2S/c1-2-21-13-9-5-4-8-12(13)19-17(20)15-11-7-3-6-10-14(11)22-16(15)18/h4-5,8-9H,2-3,6-7,10,18H2,1H3,(H,19,20)

Composition: C (64.53%), H (6.37%), N (8.85%), O (10.11%), S (10.13%)

Molar Mass: 316.42

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 316.124549066
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IFDBDLGLZAQYLV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.19
Topological Polar Surface Area 64.35
Polarizability 33.58
Ring Count 3
Rotatable Bond Count 4

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