N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-2-methylpentanamide

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-2-methylpentanamide

Formula: C14H18N2O3S2

SMILES: CCCC(C)C(=O)NC1=NC2=CC=C(C=C2S1)S(C)(=O)=O

IUPAC: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-2-methylpentanamide

InChI: InChI=1/C14H18N2O3S2/c1-4-5-9(2)13(17)16-14-15-11-7-6-10(21(3,18)19)8-12(11)20-14/h6-9H,4-5H2,1-3H3,(H,15,16,17)

Composition: C (51.51%), H (5.56%), N (8.58%), O (14.70%), S (19.64%)

Molar Mass: 326.43

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	326.075884796
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ITXJTXLZHYYCJU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.87
Topological Polar Surface Area	76.13
Polarizability	33.89
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H18N2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00