N-[2-(azepane-1-carbonyl)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide

N-[2-(azepane-1-carbonyl)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide

Formula: C22H26N2O2S

SMILES: CC1=CC=C(SCC(=O)NC2=CC=CC=C2C(=O)N2CCCCCC2)C=C1

IUPAC: N-[2-(azepane-1-carbonyl)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide

InChI: InChI=1S/C22H26N2O2S/c1-17-10-12-18(13-11-17)27-16-21(25)23-20-9-5-4-8-19(20)22(26)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,23,25)

Composition: C (69.08%), H (6.85%), N (7.32%), O (8.37%), S (8.38%)

Molar Mass: 382.52

Atom Count: 53

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	382.171499259
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IGFYMZAPKCVNMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.98
Topological Polar Surface Area	49.41
Polarizability	42.76
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00