ethyl 2-(4-methylbenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

ethyl 2-(4-methylbenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

Formula: C20H23NO3S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(C)C=C2)SC2=C1CCCCC2

IUPAC: ethyl 2-(4-methylbenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

InChI: InChI=1S/C20H23NO3S/c1-3-24-20(23)17-15-7-5-4-6-8-16(15)25-19(17)21-18(22)14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3,(H,21,22)

Composition: C (67.20%), H (6.49%), N (3.92%), O (13.43%), S (8.97%)

Molar Mass: 357.47

Atom Count: 48

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	357.139864779
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YTUBZBOVGOBCNW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.69
Topological Polar Surface Area	55.4
Polarizability	37.96
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H23NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00