(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate

C15H17NO3S — CID 62162231

IUPAC(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCOc1ccc(C)cc1COC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C15H17NO3S/c1-9-4-5-13(18-3)11(6-9)8-19-15(17)14-7-12(16)10(2)20-14/h4-7H,8,16H2,1-3H3
InChIKeyARRQHZZKONTUBV-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.31
Rot. Bonds4

About (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate

(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 62162231) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID62162231
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCOc1ccc(C)cc1COC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C15H17NO3S/c1-9-4-5-13(18-3)11(6-9)8-19-15(17)14-7-12(16)10(2)20-14/h4-7H,8,16H2,1-3H3
InChIKeyARRQHZZKONTUBV-UHFFFAOYSA-N
XLogP3.31
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
(2-methoxy-5-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 78996965
(2-methoxy-5-methylphenyl)methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 7628172
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
CID 8954351
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
(2-methoxy-5-methylphenyl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7604792
(2-methoxy-5-methylphenyl)methyl 4-methylsulfonylbenzoate
CID 8955135
pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 55108746
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 8867472

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate (CID 62162231) is (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate is COc1ccc(C)cc1COC(=O)c1cc(N)c(C)s1.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is ARRQHZZKONTUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-9-4-5-13(18-3)11(6-9)8-19-15(17)14-7-12(16)10(2)20-14/h4-7H,8,16H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate?
(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 62162231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).