methyl 2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate

methyl 2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate

CAS: 350992-12-0

Formula: C17H21NO2S

SMILES: COC(=O)C1=C(N)SC(C)=C1C1=CC=C(CC(C)C)C=C1

IUPAC: methyl 2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate

InChI: InChI=1S/C17H21NO2S/c1-10(2)9-12-5-7-13(8-6-12)14-11(3)21-16(18)15(14)17(19)20-4/h5-8,10H,9,18H2,1-4H3

Composition: C (67.30%), H (6.98%), N (4.62%), O (10.55%), S (10.57%)

Molar Mass: 303.42

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	303.129300094
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CDHIWXJSWNNNTI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	88.03
Topological Polar Surface Area	52.32
Polarizability	34.55
Ring Count	2
Rotatable Bond Count	5

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