ethyl 5-acetyl-4-methyl-2-(3-methylbutanamido)thiophene-3-carboxylate

ethyl 5-acetyl-4-methyl-2-(3-methylbutanamido)thiophene-3-carboxylate

Formula: C15H21NO4S

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

IUPAC: ethyl 5-acetyl-4-methyl-2-(3-methylbutanamido)thiophene-3-carboxylate

InChI: InChI=1S/C15H21NO4S/c1-6-20-15(19)12-9(4)13(10(5)17)21-14(12)16-11(18)7-8(2)3/h8H,6-7H2,1-5H3,(H,16,18)

Composition: C (57.86%), H (6.80%), N (4.50%), O (20.55%), S (10.30%)

Molar Mass: 311.4

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	311.119129334
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XJSKZPOGXQNFFJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.97
Topological Polar Surface Area	72.47
Polarizability	31.25
Ring Count	1
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H21NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00