ethyl 4-phenyl-2-[2-(pyrimidin-2-ylsulfanyl)acetamido]thiophene-3-carboxylate

ethyl 4-phenyl-2-[2-(pyrimidin-2-ylsulfanyl)acetamido]thiophene-3-carboxylate

Formula: C19H17N3O3S2

SMILES: CCOC(=O)C1=C(NC(=O)CSC2=NC=CC=N2)SC=C1C1=CC=CC=C1

IUPAC: ethyl 4-phenyl-2-[2-(pyrimidin-2-ylsulfanyl)acetamido]thiophene-3-carboxylate

InChI: InChI=1S/C19H17N3O3S2/c1-2-25-18(24)16-14(13-7-4-3-5-8-13)11-26-17(16)22-15(23)12-27-19-20-9-6-10-21-19/h3-11H,2,12H2,1H3,(H,22,23)

Composition: C (57.13%), H (4.29%), N (10.52%), O (12.01%), S (16.05%)

Molar Mass: 399.48

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	399.071133767
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZATRDEIUCMUTCW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.11
Topological Polar Surface Area	81.18
Polarizability	41.98
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H17N3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00