benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

C19H17NO3S — CID 71614908

IUPACbenzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
SMILESCOc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H17NO3S/c1-22-15-9-7-14(8-10-15)16-12-24-18(20)17(16)19(21)23-11-13-5-3-2-4-6-13/h2-10,12H,11,20H2,1H3
InChIKeyBCJAIJUEAVAJFO-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.36
Rot. Bonds5

About benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate (PubChem CID 71614908) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
PubChem CID71614908
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Namebenzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
SMILESCOc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H17NO3S/c1-22-15-9-7-14(8-10-15)16-12-24-18(20)17(16)19(21)23-11-13-5-3-2-4-6-13/h2-10,12H,11,20H2,1H3
InChIKeyBCJAIJUEAVAJFO-UHFFFAOYSA-N
XLogP4.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
ethyl 4-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1354018
[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265700
benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate
CID 71485303
(2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 71009795
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
benzyl 3-phenylthiophene-2-carboxylate
CID 175107738
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
2-amino-4-(methoxymethyl)-5-phenylmethoxycarbonylthiophene-3-carboxylic acid
CID 154082367
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The IUPAC name of benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate (CID 71614908) is benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate.
What is the SMILES notation for benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The canonical SMILES for benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate is COc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The InChIKey is BCJAIJUEAVAJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-22-15-9-7-14(8-10-15)16-12-24-18(20)17(16)19(21)23-11-13-5-3-2-4-6-13/h2-10,12H,11,20H2,1H3.
What are the key properties of benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate?
benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 71614908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).