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methyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

methyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

CAS: 200277-85-6

Formula: C14H14N2O3S

SMILES: COC(=O)C1=C(N)SC(C(=O)NC2=CC=CC=C2)=C1C

IUPAC: methyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

InChI: InChI=1S/C14H14N2O3S/c1-8-10(14(18)19-2)12(15)20-11(8)13(17)16-9-6-4-3-5-7-9/h3-7H,15H2,1-2H3,(H,16,17)

Composition: C (57.92%), H (4.86%), N (9.65%), O (16.53%), S (11.04%)

Molar Mass: 290.34

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 290.072513493
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BWKPWQXMESIWDK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.41
Topological Polar Surface Area 81.42
Polarizability 28.98
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 200277-85-6 $121.92$121.92
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