ethyl 2-benzamido-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate

ethyl 2-benzamido-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate

Formula: C23H22N2O4S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=CC=C2)SC(C(=O)NC2=CC=C(C)C=C2)=C1C

IUPAC: ethyl 2-benzamido-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate

InChI: InChI=1S/C23H22N2O4S/c1-4-29-23(28)18-15(3)19(21(27)24-17-12-10-14(2)11-13-17)30-22(18)25-20(26)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H,24,27)(H,25,26)

Composition: C (65.39%), H (5.25%), N (6.63%), O (15.15%), S (7.59%)

Molar Mass: 422.5

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	422.13002837
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HAQNSWAKHIUSED-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	120.03
Topological Polar Surface Area	84.5
Polarizability	44.04
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H22N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00