2-amino-N-[3-(trifluoromethyl)phenyl]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

2-amino-N-[3-(trifluoromethyl)phenyl]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

CAS: 669740-00-5

Formula: C15H13F3N2OS

SMILES: NC1=C(C(=O)NC2=CC(=CC=C2)C(F)(F)F)C2=C(CCC2)S1

IUPAC: 2-amino-N-[3-(trifluoromethyl)phenyl]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

InChI: InChI=1S/C15H13F3N2OS/c16-15(17,18)8-3-1-4-9(7-8)20-14(21)12-10-5-2-6-11(10)22-13(12)19/h1,3-4,7H,2,5-6,19H2,(H,20,21)

Composition: C (55.21%), H (4.02%), F (17.47%), N (8.58%), O (4.90%), S (9.82%)

Molar Mass: 326.34

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	326.07006871
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KECBGHDNBUFRSB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.35
Topological Polar Surface Area	55.12
Polarizability	28.55
Ring Count	3
Rotatable Bond Count	3

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