2-{4-[(E)-({2-[N-(2,3-dimethylphenyl)methanesulfonamido]acetamido}imino)methyl]phenoxy}-N-(oxolan-2-ylmethyl)acetamide

2-{4-[(E)-({2-[N-(2,3-dimethylphenyl)methanesulfonamido]acetamido}imino)methyl]phenoxy}-N-(oxolan-2-ylmethyl)acetamide

Formula: C25H32N4O6S

SMILES: CC1=C(C)C(=CC=C1)N(CC(=O)NN=CC1=CC=C(OCC(=O)NCC2CCCO2)C=C1)S(C)(=O)=O

IUPAC: 2-{4-[(E)-({2-[N-(2,3-dimethylphenyl)methanesulfonamido]acetamido}imino)methyl]phenoxy}-N-[(oxolan-2-yl)methyl]acetamide

InChI: InChI=1/C25H32N4O6S/c1-18-6-4-8-23(19(18)2)29(36(3,32)33)16-24(30)28-27-14-20-9-11-21(12-10-20)35-17-25(31)26-15-22-7-5-13-34-22/h4,6,8-12,14,22H,5,7,13,15-17H2,1-3H3,(H,26,31)(H,28,30)/b27-14+

Composition: C (58.12%), H (6.24%), N (10.85%), O (18.58%), S (6.21%)

Molar Mass: 516.61

Atom Count: 68

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	516.20425594
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	DXPYMIUPZDEUPY-MZJWZYIUNA-N
Lipinski's Rule of Five
Molar Refractivity	136.25
Topological Polar Surface Area	126.4
Polarizability	52.85
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H32N4O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00