4-{[3-(ethoxycarbonyl)-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl}butanoic acid

4-{[3-(ethoxycarbonyl)-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl}butanoic acid

Formula: C19H21NO6S

SMILES: CCOC(=O)C1=C(NC(=O)CCCC(O)=O)SC=C1C1=CC=C(OC)C=C1

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

InChI: InChI=1S/C19H21NO6S/c1-3-26-19(24)17-14(12-7-9-13(25-2)10-8-12)11-27-18(17)20-15(21)5-4-6-16(22)23/h7-11H,3-6H2,1-2H3,(H,20,21)(H,22,23)

Composition: C (58.30%), H (5.41%), N (3.58%), O (24.52%), S (8.19%)

Molar Mass: 391.44

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	391.108958574
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NGXYVEOANQHNPE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.05
Topological Polar Surface Area	101.93
Polarizability	39.69
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21NO6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00