4-{[3-(ethoxycarbonyl)-5-ethylthiophen-2-yl]carbamoyl}butanoic acid

4-{[3-(ethoxycarbonyl)-5-ethylthiophen-2-yl]carbamoyl}butanoic acid

Formula: C14H19NO5S

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

IUPAC: 4-{[3-(ethoxycarbonyl)-5-ethylthiophen-2-yl]carbamoyl}butanoic acid

InChI: InChI=1S/C14H19NO5S/c1-3-9-8-10(14(19)20-4-2)13(21-9)15-11(16)6-5-7-12(17)18/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18)

Composition: C (53.66%), H (6.11%), N (4.47%), O (25.53%), S (10.23%)

Molar Mass: 313.37

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	313.09839389
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UBWGYULRGHEJAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.04
Topological Polar Surface Area	92.7
Polarizability	29.93
Ring Count	1
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H19NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00