methyl 4-[2-(N-cyclohexyl-4-methylbenzenesulfonamido)acetamido]benzoate

methyl 4-[2-(N-cyclohexyl-4-methylbenzenesulfonamido)acetamido]benzoate

Formula: C23H28N2O5S

SMILES: COC(=O)C1=CC=C(NC(=O)CN(C2CCCCC2)S(=O)(=O)C2=CC=C(C)C=C2)C=C1

IUPAC: methyl 4-[2-(N-cyclohexyl-4-methylbenzenesulfonamido)acetamido]benzoate

InChI: InChI=1S/C23H28N2O5S/c1-17-8-14-21(15-9-17)31(28,29)25(20-6-4-3-5-7-20)16-22(26)24-19-12-10-18(11-13-19)23(27)30-2/h8-15,20H,3-7,16H2,1-2H3,(H,24,26)

Composition: C (62.14%), H (6.35%), N (6.30%), O (17.99%), S (7.21%)

Molar Mass: 444.55

Atom Count: 59

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	444.171893184
Formal Charge	0
FSP3	0.39
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FDFGTTHJQRYWDG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.45
Topological Polar Surface Area	92.78
Polarizability	46.6
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H28N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00