ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate

C14H15NO3S — CID 19064926

IUPACethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(OC)c(-c2ccccc2)c1N
InChIInChI=1S/C14H15NO3S/c1-3-18-13(16)12-11(15)10(14(17-2)19-12)9-7-5-4-6-8-9/h4-8H,3,15H2,1-2H3
InChIKeyPCOCSYWUDYHKRM-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.18
Rot. Bonds4

About ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate

ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate (PubChem CID 19064926) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
PubChem CID19064926
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(OC)c(-c2ccccc2)c1N
InChIInChI=1S/C14H15NO3S/c1-3-18-13(16)12-11(15)10(14(17-2)19-12)9-7-5-4-6-8-9/h4-8H,3,15H2,1-2H3
InChIKeyPCOCSYWUDYHKRM-UHFFFAOYSA-N
XLogP3.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-ethyl 4-O-methyl 5-amino-3-phenylthiophene-2,4-dicarboxylate
CID 64891834
ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate
CID 19064904
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
CID 1241263
ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate
CID 63399043
ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
CID 4290243
ethyl 4,7-dioxo-3-phenyl-1-benzothiophene-2-carboxylate
CID 11483776
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
ethyl 3-amino-4-cyano-5-phenylmethoxythiophene-2-carboxylate
CID 100766934
ethyl 2-acetamido-5-acetyl-4-phenylthiophene-3-carboxylate
CID 833795
ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041827
methyl 3-amino-4-(4-hydroxyphenyl)-5-phenylthiophene-2-carboxylate
CID 67265008
ethyl 2-[(3,5-dimethoxybenzoyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 28693599

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate (CID 19064926) is ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate is CCOC(=O)c1sc(OC)c(-c2ccccc2)c1N.
What is the InChIKey of ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate?
The InChIKey is PCOCSYWUDYHKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-18-13(16)12-11(15)10(14(17-2)19-12)9-7-5-4-6-8-9/h4-8H,3,15H2,1-2H3.
What are the key properties of ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate?
ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate is sourced from PubChem (CID 19064926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).