4-(3-methylbutanamido)-N-[(propanamidomethanethioyl)amino]benzamide

4-(3-methylbutanamido)-N-[(propanamidomethanethioyl)amino]benzamide

Formula: C16H22N4O3S

SMILES: CCC(=O)NC(=S)NNC(=O)C1=CC=C(NC(=O)CC(C)C)C=C1

IUPAC: 4-(3-methylbutanamido)-N-[(propanamidomethanethioyl)amino]benzamide

InChI: InChI=1S/C16H22N4O3S/c1-4-13(21)18-16(24)20-19-15(23)11-5-7-12(8-6-11)17-14(22)9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,23)(H2,18,20,21,24)

Composition: C (54.84%), H (6.33%), N (15.99%), O (13.70%), S (9.15%)

Molar Mass: 350.44

Atom Count: 46

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	350.141261758
Formal Charge	0
FSP3	0.37
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
InChIKey	QOBIBLKKBDXDHJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.5
Topological Polar Surface Area	99.33
Polarizability	36.73
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H22N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00