2-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Formula: C16H22N2O4S

SMILES: CCC1=C(C)SC(NC(=O)C2CCCCC2C(O)=O)=C1C(N)=O

IUPAC: 2-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

InChI: InChI=1/C16H22N2O4S/c1-3-9-8(2)23-15(12(9)13(17)19)18-14(20)10-6-4-5-7-11(10)16(21)22/h10-11H,3-7H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)

Composition: C (56.79%), H (6.55%), N (8.28%), O (18.91%), S (9.47%)

Molar Mass: 338.42

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	338.13002837
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	GJAIXTCRPDWCKV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.41
Topological Polar Surface Area	109.49
Polarizability	33.02
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H22N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00