ethyl 2-{[(2-chlorobenzenesulfonyl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-{[(2-chlorobenzenesulfonyl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C18H19ClN2O5S2

SMILES: CCOC(=O)C1=C(NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl)SC2=C1CCCC2

IUPAC: ethyl 2-{[(2-chlorobenzenesulfonyl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C18H19ClN2O5S2/c1-2-26-17(22)15-11-7-3-5-9-13(11)27-16(15)20-18(23)21-28(24,25)14-10-6-4-8-12(14)19/h4,6,8,10H,2-3,5,7,9H2,1H3,(H2,20,21,23)

Composition: C (48.81%), H (4.32%), Cl (8.00%), N (6.32%), O (18.06%), S (14.48%)

Molar Mass: 442.93

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	442.0423918
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GAWKFTDVFJGIRH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	108.18
Topological Polar Surface Area	101.57
Polarizability	41.72
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H19ClN2O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00