methyl 2-(3-ethoxy-3-oxopropanamido)thiophene-3-carboxylate

methyl 2-(3-ethoxy-3-oxopropanamido)thiophene-3-carboxylate

CAS: 1158651-78-5

Formula: C11H13NO5S

SMILES: CCOC(=O)CC(=O)NC1=C(C=CS1)C(=O)OC

IUPAC: methyl 2-(3-ethoxy-3-oxopropanamido)thiophene-3-carboxylate

InChI: InChI=1S/C11H13NO5S/c1-3-17-9(14)6-8(13)12-10-7(4-5-18-10)11(15)16-2/h4-5H,3,6H2,1-2H3,(H,12,13)

Composition: C (48.70%), H (4.83%), N (5.16%), O (29.49%), S (11.82%)

Molar Mass: 271.29

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.051443697
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BENQPRZLGDGZJI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.07
Topological Polar Surface Area	81.7
Polarizability	24.79
Ring Count	1
Rotatable Bond Count	7

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