2-{2-[(4-chlorophenyl)sulfanyl]propanamido}-N-cyclohexylbenzamide

2-{2-[(4-chlorophenyl)sulfanyl]propanamido}-N-cyclohexylbenzamide

Formula: C22H25ClN2O2S

SMILES: CC(SC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C(=O)NC1CCCCC1

IUPAC: 2-{2-[(4-chlorophenyl)sulfanyl]propanamido}-N-cyclohexylbenzamide

InChI: InChI=1/C22H25ClN2O2S/c1-15(28-18-13-11-16(23)12-14-18)21(26)25-20-10-6-5-9-19(20)22(27)24-17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,24,27)(H,25,26)

Composition: C (63.37%), H (6.04%), Cl (8.50%), N (6.72%), O (7.67%), S (7.69%)

Molar Mass: 416.96

Atom Count: 53

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	416.1325269
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	HRWWWPVVAAKEBH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	117.61
Topological Polar Surface Area	58.2
Polarizability	44.71
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H25ClN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00