2-[N-(3,5-dimethylphenyl)methanesulfonamido]-N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)acetamide

2-[N-(3,5-dimethylphenyl)methanesulfonamido]-N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)acetamide

Formula: C21H28N2O3S2

SMILES: CC1=CC(=CC(C)=C1)N(CC(=O)NCCSCC1=CC=CC=C1C)S(C)(=O)=O

IUPAC: 2-[N-(3,5-dimethylphenyl)methanesulfonamido]-N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)acetamide

InChI: InChI=1S/C21H28N2O3S2/c1-16-11-17(2)13-20(12-16)23(28(4,25)26)14-21(24)22-9-10-27-15-19-8-6-5-7-18(19)3/h5-8,11-13H,9-10,14-15H2,1-4H3,(H,22,24)

Composition: C (59.97%), H (6.71%), N (6.66%), O (11.41%), S (15.25%)

Molar Mass: 420.59

Atom Count: 56

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	420.154135118
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PNNPVVPCIFVKIR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.35
Topological Polar Surface Area	66.48
Polarizability	45.84
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H28N2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00