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2-[(2E)-3-(4-bromophenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxamide

2-[(2E)-3-(4-bromophenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxamide

Formula: C16H15BrN2O2S

SMILES: CC1=C(C)C(C(N)=O)=C(NC(=O)C=CC2=CC=C(Br)C=C2)S1

IUPAC: 2-[(2E)-3-(4-bromophenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxamide

InChI: InChI=1S/C16H15BrN2O2S/c1-9-10(2)22-16(14(9)15(18)21)19-13(20)8-5-11-3-6-12(17)7-4-11/h3-8H,1-2H3,(H2,18,21)(H,19,20)/b8-5+

Composition: C (50.67%), H (3.99%), Br (21.07%), N (7.39%), O (8.44%), S (8.45%)

Molar Mass: 379.27

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 378.003762
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ARPMQMXFYIDREQ-VMPITWQZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.4
Topological Polar Surface Area 72.19
Polarizability 34.26
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H15BrN2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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