N-(2-ethylphenyl)-2-{2-[(2-methylpropyl)amino]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

N-(2-ethylphenyl)-2-{2-[(2-methylpropyl)amino]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C24H33N3O2S

SMILES: CCC1=CC=CC=C1NC(=O)C1=C(NC(=O)CNCC(C)C)SC2=C1CCCCC2

IUPAC: N-(2-ethylphenyl)-2-{2-[(2-methylpropyl)amino]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1S/C24H33N3O2S/c1-4-17-10-8-9-12-19(17)26-23(29)22-18-11-6-5-7-13-20(18)30-24(22)27-21(28)15-25-14-16(2)3/h8-10,12,16,25H,4-7,11,13-15H2,1-3H3,(H,26,29)(H,27,28)

Composition: C (67.41%), H (7.78%), N (9.83%), O (7.48%), S (7.50%)

Molar Mass: 427.61

Atom Count: 63

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	427.229348489
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	MGTXUQRHQGOKAU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	126.26
Topological Polar Surface Area	70.23
Polarizability	47.3
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H33N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00