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2-benzamido-N-butyl-4,5-dimethylthiophene-3-carboxamide

2-benzamido-N-butyl-4,5-dimethylthiophene-3-carboxamide

Formula: C18H22N2O2S

SMILES: CCCCNC(=O)C1=C(NC(=O)C2=CC=CC=C2)SC(C)=C1C

IUPAC: 2-benzamido-N-butyl-4,5-dimethylthiophene-3-carboxamide

InChI: InChI=1S/C18H22N2O2S/c1-4-5-11-19-17(22)15-12(2)13(3)23-18(15)20-16(21)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3,(H,19,22)(H,20,21)

Composition: C (65.43%), H (6.71%), N (8.48%), O (9.68%), S (9.70%)

Molar Mass: 330.45

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 330.14019913
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QCNWMSNWHRFYJJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 95.8
Topological Polar Surface Area 58.2
Polarizability 35.33
Ring Count 2
Rotatable Bond Count 6

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H22N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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