2-{[(2-methylphenyl)methyl]sulfanyl}-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

2-{[(2-methylphenyl)methyl]sulfanyl}-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

Formula: C20H24N2O3S2

SMILES: CC1=CC=CC=C1CSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCCC1

IUPAC: 2-{[(2-methylphenyl)methyl]sulfanyl}-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

InChI: InChI=1S/C20H24N2O3S2/c1-16-6-2-3-7-17(16)14-26-15-20(23)21-18-8-10-19(11-9-18)27(24,25)22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23)

Composition: C (59.38%), H (5.98%), N (6.92%), O (11.86%), S (15.85%)

Molar Mass: 404.54

Atom Count: 51

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	404.122834989
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MNEBROQQBWAQGD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.6
Topological Polar Surface Area	66.48
Polarizability	43.38
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H24N2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00