3-(3,5-dimethoxyphenyl)-1-[2-(4-sulfamoylphenyl)ethyl]thiourea

3-(3,5-dimethoxyphenyl)-1-[2-(4-sulfamoylphenyl)ethyl]thiourea

Formula: C17H21N3O4S2

SMILES: COC1=CC(OC)=CC(NC(=S)NCCC2=CC=C(C=C2)S(N)(=O)=O)=C1

IUPAC: 3-(3,5-dimethoxyphenyl)-1-[2-(4-sulfamoylphenyl)ethyl]thiourea

InChI: InChI=1S/C17H21N3O4S2/c1-23-14-9-13(10-15(11-14)24-2)20-17(25)19-8-7-12-3-5-16(6-4-12)26(18,21)22/h3-6,9-11H,7-8H2,1-2H3,(H2,18,21,22)(H2,19,20,25)

Composition: C (51.63%), H (5.35%), N (10.62%), O (16.18%), S (16.21%)

Molar Mass: 395.49

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	395.097348516
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	WDYYJGUROMLFAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.94
Topological Polar Surface Area	102.68
Polarizability	41.47
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H21N3O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00