3-methyl-4-nitro-N-[3-(thiophen-2-ylformamido)propyl]benzamide

3-methyl-4-nitro-N-[3-(thiophen-2-ylformamido)propyl]benzamide

Formula: C16H17N3O4S

SMILES: CC1=CC(=CC=C1[N+]([O-])=O)C(=O)NCCCNC(=O)C1=CC=CS1

IUPAC: 3-methyl-4-nitro-N-{3-[(thiophen-2-yl)formamido]propyl}benzamide

InChI: InChI=1S/C16H17N3O4S/c1-11-10-12(5-6-13(11)19(22)23)15(20)17-7-3-8-18-16(21)14-4-2-9-24-14/h2,4-6,9-10H,3,7-8H2,1H3,(H,17,20)(H,18,21)

Composition: C (55.32%), H (4.93%), N (12.10%), O (18.42%), S (9.23%)

Molar Mass: 347.39

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	347.093977213
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OCGXWRSHACDAHP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.21
Topological Polar Surface Area	101.34
Polarizability	33.52
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H17N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00