2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C19H24N4O2S2

SMILES: CCC(SC1=NC(C)=CC(C)=N1)C(=O)NC1=C(C(N)=O)C2=C(CCCC2)S1

IUPAC: 2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C19H24N4O2S2/c1-4-13(27-19-21-10(2)9-11(3)22-19)17(25)23-18-15(16(20)24)12-7-5-6-8-14(12)26-18/h9,13H,4-8H2,1-3H3,(H2,20,24)(H,23,25)

Composition: C (56.41%), H (5.98%), N (13.85%), O (7.91%), S (15.85%)

Molar Mass: 404.55

Atom Count: 51

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	404.134068377
Formal Charge	0
FSP3	0.47
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PSRDAGQAYAWARE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.9
Topological Polar Surface Area	97.97
Polarizability	41.33
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H24N4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00