N-[5-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide

N-[5-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide

Formula: C20H18N4O4S2

SMILES: CC(=O)C1=CC(NC(=O)CSC2=NN=C(NC(=O)COC3=CC=CC=C3)S2)=CC=C1

IUPAC: N-[5-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide

InChI: InChI=1S/C20H18N4O4S2/c1-13(25)14-6-5-7-15(10-14)21-18(27)12-29-20-24-23-19(30-20)22-17(26)11-28-16-8-3-2-4-9-16/h2-10H,11-12H2,1H3,(H,21,27)(H,22,23,26)

Composition: C (54.29%), H (4.10%), N (12.66%), O (14.46%), S (14.49%)

Molar Mass: 442.51

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	442.076947424
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	TVRCOJKMGOEHSO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.83
Topological Polar Surface Area	110.28
Polarizability	43.77
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N4O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00