methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate

C15H17NO3S — CID 72703809

IUPACmethyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(CCc2ccc(OC)cc2)sc1N
InChIInChI=1S/C15H17NO3S/c1-18-11-6-3-10(4-7-11)5-8-12-9-13(14(16)20-12)15(17)19-2/h3-4,6-7,9H,5,8,16H2,1-2H3
InChIKeyJKGNJURKKYVLKX-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.91
Rot. Bonds5

About methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate

methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate (PubChem CID 72703809) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate
PubChem CID72703809
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Namemethyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(CCc2ccc(OC)cc2)sc1N
InChIInChI=1S/C15H17NO3S/c1-18-11-6-3-10(4-7-11)5-8-12-9-13(14(16)20-12)15(17)19-2/h3-4,6-7,9H,5,8,16H2,1-2H3
InChIKeyJKGNJURKKYVLKX-UHFFFAOYSA-N
XLogP2.91
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Isopropyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 874670
Methyl 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
CID 674768
Methyl 2-amino-5-phenylthiophene-3-carboxylate
CID 705256
Methyl 2-amino-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate
CID 874645
Ethyl 3-Amino-5-(4-Methoxyphenyl)-2-Thiophenecarboxylate
CID 825579
Ethyl 2-amino-5-phenylthiophene-3-carboxylate
CID 638860
Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
CID 693902
Ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 718648
Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 727641
Benzyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 71009752
(3-Methoxyphenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 71009783

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate (CID 72703809) is methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate is COC(=O)c1cc(CCc2ccc(OC)cc2)sc1N.
What is the InChIKey of methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate?
The InChIKey is JKGNJURKKYVLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-18-11-6-3-10(4-7-11)5-8-12-9-13(14(16)20-12)15(17)19-2/h3-4,6-7,9H,5,8,16H2,1-2H3.
What are the key properties of methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate?
methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate is sourced from PubChem (CID 72703809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).