N-(2,4-dimethoxyphenyl)-2-[2-(prop-2-en-1-ylamino)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

N-(2,4-dimethoxyphenyl)-2-[2-(prop-2-en-1-ylamino)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

Formula: C21H25N3O4S

SMILES: COC1=CC=C(NC(=O)C2=C(NC(=O)CNCC=C)SC3=C2CCC3)C(OC)=C1

IUPAC: N-(2,4-dimethoxyphenyl)-2-{2-[(prop-2-en-1-yl)amino]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

InChI: InChI=1S/C21H25N3O4S/c1-4-10-22-12-18(25)24-21-19(14-6-5-7-17(14)29-21)20(26)23-15-9-8-13(27-2)11-16(15)28-3/h4,8-9,11,22H,1,5-7,10,12H2,2-3H3,(H,23,26)(H,24,25)

Composition: C (60.70%), H (6.06%), N (10.11%), O (15.40%), S (7.72%)

Molar Mass: 415.51

Atom Count: 54

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	415.156577471
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	NQDYHDZKSATJKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.76
Topological Polar Surface Area	88.69
Polarizability	43
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00