4-{[N-(3,4-dimethylphenyl)methanesulfonamido]methyl}-N-(1-methoxypropan-2-yl)benzamide

4-{[N-(3,4-dimethylphenyl)methanesulfonamido]methyl}-N-(1-methoxypropan-2-yl)benzamide

Formula: C21H28N2O4S

SMILES: COCC(C)NC(=O)C1=CC=C(CN(C2=CC=C(C)C(C)=C2)S(C)(=O)=O)C=C1

IUPAC: 4-{[N-(3,4-dimethylphenyl)methanesulfonamido]methyl}-N-(1-methoxypropan-2-yl)benzamide

InChI: InChI=1/C21H28N2O4S/c1-15-6-11-20(12-16(15)2)23(28(5,25)26)13-18-7-9-19(10-8-18)21(24)22-17(3)14-27-4/h6-12,17H,13-14H2,1-5H3,(H,22,24)

Composition: C (62.35%), H (6.98%), N (6.93%), O (15.82%), S (7.93%)

Molar Mass: 404.53

Atom Count: 56

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	404.176978564
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YFHTTYMEEKQYPU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.77
Topological Polar Surface Area	75.71
Polarizability	43.33
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H28N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00