(2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

C20H18FNO4S — CID 71009795

IUPAC(2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SMILESCOc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2F)cc1OC
InChIInChI=1S/C20H18FNO4S/c1-24-16-8-7-12(9-17(16)25-2)14-11-27-19(22)18(14)20(23)26-10-13-5-3-4-6-15(13)21/h3-9,11H,10,22H2,1-2H3
InChIKeyRHHMMDZTAHYGJS-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.51
Rot. Bonds6

About (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

(2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (PubChem CID 71009795) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
PubChem CID71009795
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name(2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SMILESCOc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2F)cc1OC
InChIInChI=1S/C20H18FNO4S/c1-24-16-8-7-12(9-17(16)25-2)14-11-27-19(22)18(14)20(23)26-10-13-5-3-4-6-15(13)21/h3-9,11H,10,22H2,1-2H3
InChIKeyRHHMMDZTAHYGJS-UHFFFAOYSA-N
XLogP4.51
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 874645
2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 71009749
benzyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 71614908
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 4-(3,4-dimethoxyphenyl)-2-pyrrol-1-ylthiophene-3-carboxylate
CID 23792522
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170885510

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CID 71009795) is (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is COc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2F)cc1OC.
What is the InChIKey of (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The InChIKey is RHHMMDZTAHYGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-24-16-8-7-12(9-17(16)25-2)14-11-27-19(22)18(14)20(23)26-10-13-5-3-4-6-15(13)21/h3-9,11H,10,22H2,1-2H3.
What are the key properties of (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
(2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate has a molecular weight of 387.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 71009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).