N-[4-(adamantan-2-yl)phenyl]-2-[N-(4-methoxyphenyl)-4-fluorobenzenesulfonamido]acetamide

N-[4-(adamantan-2-yl)phenyl]-2-[N-(4-methoxyphenyl)-4-fluorobenzenesulfonamido]acetamide

Formula: C31H33FN2O4S

SMILES: COC1=CC=C(C=C1)N(CC(=O)NC1=CC=C(C=C1)C1C2CC3CC(C2)CC1C3)S(=O)(=O)C1=CC=C(F)C=C1

IUPAC: N-[4-(adamantan-2-yl)phenyl]-2-[N-(4-methoxyphenyl)-4-fluorobenzenesulfonamido]acetamide

InChI: InChI=1S/C31H33FN2O4S/c1-38-28-10-8-27(9-11-28)34(39(36,37)29-12-4-25(32)5-13-29)19-30(35)33-26-6-2-22(3-7-26)31-23-15-20-14-21(17-23)18-24(31)16-20/h2-13,20-21,23-24,31H,14-19H2,1H3,(H,33,35)

Composition: C (67.86%), H (6.06%), F (3.46%), N (5.11%), O (11.66%), S (5.84%)

Molar Mass: 548.67

Atom Count: 72

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	548.214506888
Formal Charge	0
FSP3	0.39
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CAZFNMLSGQUGGU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	149.61
Topological Polar Surface Area	75.71
Polarizability	57.99
Ring Count	6
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H33FN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00