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methyl 2-(2-cyanoacetamido)-5-phenylthiophene-3-carboxylate

methyl 2-(2-cyanoacetamido)-5-phenylthiophene-3-carboxylate

CAS: 515872-98-7

Formula: C15H12N2O3S

SMILES: COC(=O)C1=C(NC(=O)CC#N)SC(=C1)C1=CC=CC=C1

IUPAC: methyl 2-(2-cyanoacetamido)-5-phenylthiophene-3-carboxylate

InChI: InChI=1S/C15H12N2O3S/c1-20-15(19)11-9-12(10-5-3-2-4-6-10)21-14(11)17-13(18)7-8-16/h2-6,9H,7H2,1H3,(H,17,18)

Composition: C (59.99%), H (4.03%), N (9.33%), O (15.98%), S (10.67%)

Molar Mass: 300.33

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 300.056863428
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey INORVDFGOYFVEK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.46
Topological Polar Surface Area 79.19
Polarizability 30.95
Ring Count 2
Rotatable Bond Count 5

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