methyl 3-({[(4-ethoxyphenyl)carbamoyl]methyl}(4-methylphenyl)sulfamoyl)-4-phenylthiophene-2-carboxylate

methyl 3-({[(4-ethoxyphenyl)carbamoyl]methyl}(4-methylphenyl)sulfamoyl)-4-phenylthiophene-2-carboxylate

CAS: 1982158-67-7

Formula: C29H28N2O6S2

SMILES: CCOC1=CC=C(NC(=O)CN(C2=CC=C(C)C=C2)S(=O)(=O)C2=C(SC=C2C2=CC=CC=C2)C(=O)OC)C=C1

IUPAC: methyl 3-({[(4-ethoxyphenyl)carbamoyl]methyl}(4-methylphenyl)sulfamoyl)-4-phenylthiophene-2-carboxylate

InChI: InChI=1S/C29H28N2O6S2/c1-4-37-24-16-12-22(13-17-24)30-26(32)18-31(23-14-10-20(2)11-15-23)39(34,35)28-25(21-8-6-5-7-9-21)19-38-27(28)29(33)36-3/h5-17,19H,4,18H2,1-3H3,(H,30,32)

Composition: C (61.69%), H (5.00%), N (4.96%), O (17.00%), S (11.36%)

Molar Mass: 564.67

Atom Count: 67

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	564.138878978
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	XNNHPCSBVCIBFO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	152.45
Topological Polar Surface Area	102.01
Polarizability	59.83
Ring Count	4
Rotatable Bond Count	10

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1982158-67-7		$51.35-$86.31$51.35$63.37$86.31