ethyl 2-(4-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate

ethyl 2-(4-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate

Formula: C16H16ClNO3S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(Cl)C=C2)SC(C)=C1C

IUPAC: ethyl 2-(4-chlorobenzamido)-4,5-dimethylthiophene-3-carboxylate

InChI: InChI=1S/C16H16ClNO3S/c1-4-21-16(20)13-9(2)10(3)22-15(13)18-14(19)11-5-7-12(17)8-6-11/h5-8H,4H2,1-3H3,(H,18,19)

Composition: C (56.89%), H (4.77%), Cl (10.49%), N (4.15%), O (14.21%), S (9.49%)

Molar Mass: 337.82

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	337.0539423
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CXSGIAOOFDJGQD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.53
Topological Polar Surface Area	55.4
Polarizability	33.33
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16ClNO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00