N-[4-(azepane-1-sulfonyl)phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-(azepane-1-sulfonyl)phenyl]-2-(4-methoxyphenyl)acetamide

Formula: C21H26N2O4S

SMILES: COC1=CC=C(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N2CCCCCC2)C=C1

IUPAC: N-[4-(azepane-1-sulfonyl)phenyl]-2-(4-methoxyphenyl)acetamide

InChI: InChI=1S/C21H26N2O4S/c1-27-19-10-6-17(7-11-19)16-21(24)22-18-8-12-20(13-9-18)28(25,26)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)

Composition: C (62.66%), H (6.51%), N (6.96%), O (15.90%), S (7.97%)

Molar Mass: 402.51

Atom Count: 54

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	402.161328499
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CQTPGZVOGMDWDW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.8
Topological Polar Surface Area	75.71
Polarizability	42.92
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H26N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00