ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate

C16H19NO3S — CID 118053540

IUPACethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CCc2ccc(CO)cc2)sc1N
InChIInChI=1S/C16H19NO3S/c1-2-20-16(19)14-9-13(21-15(14)17)8-7-11-3-5-12(10-18)6-4-11/h3-6,9,18H,2,7-8,10,17H2,1H3
InChIKeyGNCRBNPJCBOZEP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds6

About ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate

ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate (PubChem CID 118053540) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate
PubChem CID118053540
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Nameethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CCc2ccc(CO)cc2)sc1N
InChIInChI=1S/C16H19NO3S/c1-2-20-16(19)14-9-13(21-15(14)17)8-7-11-3-5-12(10-18)6-4-11/h3-6,9,18H,2,7-8,10,17H2,1H3
InChIKeyGNCRBNPJCBOZEP-UHFFFAOYSA-N
XLogP2.78
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate
CID 84750743
methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate
CID 118053542
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 22257964
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
ethyl 2-amino-5-nitrothiophene-3-carboxylate
CID 2737608
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
tert-butyl 2-amino-5-(3-phenylpropyl)thiophene-3-carboxylate
CID 21030874
methyl 2-amino-5-octylthiophene-3-carboxylate
CID 72704993
ethyl 2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxylate;ethyl 5-(2,2,2-trifluoroethyl)thiophene-3-carboxylate
CID 158851962
methyl 2-amino-5-[(4-ethylphenyl)sulfanylmethyl]thiophene-3-carboxylate
CID 72705563
diethyl 5-[[4-(hydroxymethyl)phenyl]diazenyl]benzene-1,3-dicarboxylate
CID 15528106

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate (CID 118053540) is ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate is CCOC(=O)c1cc(CCc2ccc(CO)cc2)sc1N.
What is the InChIKey of ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate?
The InChIKey is GNCRBNPJCBOZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-20-16(19)14-9-13(21-15(14)17)8-7-11-3-5-12(10-18)6-4-11/h3-6,9,18H,2,7-8,10,17H2,1H3.
What are the key properties of ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate?
ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate is sourced from PubChem (CID 118053540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).