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

C14H15NO2S — CID 61312784

IUPACmethyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
SMILESCCc1c(-c2ccccc2)sc(C(=O)OC)c1N
InChIInChI=1S/C14H15NO2S/c1-3-10-11(15)13(14(16)17-2)18-12(10)9-7-5-4-6-8-9/h4-8H,3,15H2,1-2H3
InChIKeyXMSBGVLBAJNLFP-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.35
Rot. Bonds3

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

methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate (PubChem CID 61312784) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
PubChem CID61312784
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
SMILESCCc1c(-c2ccccc2)sc(C(=O)OC)c1N
InChIInChI=1S/C14H15NO2S/c1-3-10-11(15)13(14(16)17-2)18-12(10)9-7-5-4-6-8-9/h4-8H,3,15H2,1-2H3
InChIKeyXMSBGVLBAJNLFP-UHFFFAOYSA-N
XLogP3.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
CID 61313579
methyl 3-amino-4-ethyl-5-(furan-2-yl)thiophene-2-carboxylate
CID 61313379
methyl 3-amino-5-(4-bromo-3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 81295830
methyl 3-amino-5-(1-benzofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 63398664
ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398785
methyl 3-amino-4-(4-hydroxyphenyl)-5-phenylthiophene-2-carboxylate
CID 67265008
methyl 3-amino-5-(5-bromofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 61312977
methyl 3,4-dihydroxy-5-phenylthiophene-2-carboxylate
CID 54697154
methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate
CID 65239076
3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83034427
methyl 3-amino-5-(2,5-dibromothiophen-3-yl)-4-ethylthiophene-2-carboxylate
CID 107963216

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate (CID 61312784) is methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate is CCc1c(-c2ccccc2)sc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate?
The InChIKey is XMSBGVLBAJNLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-10-11(15)13(14(16)17-2)18-12(10)9-7-5-4-6-8-9/h4-8H,3,15H2,1-2H3.
What are the key properties of methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate?
methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 61312784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).