(5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate

C16H19NO3S — CID 81394527

IUPAC(5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCc1ccc(CC)s1
InChIInChI=1S/C16H19NO3S/c1-3-11-8-9-12(21-11)10-20-16(18)15-13(17)6-5-7-14(15)19-4-2/h5-9H,3-4,10,17H2,1-2H3
InChIKeyAKMKCEQEPHTASE-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.65
Rot. Bonds6

About (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate

(5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate (PubChem CID 81394527) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate
PubChem CID81394527
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate
SMILESCCOc1cccc(N)c1C(=O)OCc1ccc(CC)s1
InChIInChI=1S/C16H19NO3S/c1-3-11-8-9-12(21-11)10-20-16(18)15-13(17)6-5-7-14(15)19-4-2/h5-9H,3-4,10,17H2,1-2H3
InChIKeyAKMKCEQEPHTASE-UHFFFAOYSA-N
XLogP3.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,3-thiazol-5-ylmethyl 2-amino-6-ethoxybenzoate
CID 112643764
3,3-dimethylbutyl 2-amino-6-ethoxybenzoate
CID 81414040
pyridin-3-ylmethyl 2-amino-6-ethoxybenzoate
CID 81413651
[2-(diethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81394370
(5-ethylthiophen-2-yl)methyl 3-amino-5-ethoxybenzoate
CID 81095015
(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate
CID 107052196
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
[4-(dimethylamino)-4-oxobutyl] 2-amino-6-ethoxybenzoate
CID 81394218
(5-chlorothiophen-2-yl)methyl 2-amino-6-methylbenzoate
CID 61321921

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate?
The IUPAC name of (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate (CID 81394527) is (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate.
What is the SMILES notation for (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate?
The canonical SMILES for (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate is CCOc1cccc(N)c1C(=O)OCc1ccc(CC)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate?
The InChIKey is AKMKCEQEPHTASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-11-8-9-12(21-11)10-20-16(18)15-13(17)6-5-7-14(15)19-4-2/h5-9H,3-4,10,17H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate?
(5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate has a molecular weight of 305.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)methyl 2-amino-6-ethoxybenzoate is sourced from PubChem (CID 81394527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).