ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate

C15H17NO3S — CID 10565518

IUPACethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(-c2ccccc2OC)c1C
InChIInChI=1S/C15H17NO3S/c1-4-19-15(17)12-9(2)13(20-14(12)16)10-7-5-6-8-11(10)18-3/h5-8H,4,16H2,1-3H3
InChIKeyKPWYUYGBCPXIQF-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.49
Rot. Bonds4

About ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate

ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate (PubChem CID 10565518) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate
PubChem CID10565518
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(-c2ccccc2OC)c1C
InChIInChI=1S/C15H17NO3S/c1-4-19-15(17)12-9(2)13(20-14(12)16)10-7-5-6-8-11(10)18-3/h5-8H,4,16H2,1-3H3
InChIKeyKPWYUYGBCPXIQF-UHFFFAOYSA-N
XLogP3.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-5-benzoyl-4-methylthiophene-3-carboxylate
CID 53364230
diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate
CID 101470287
ethyl 2-amino-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxylate
CID 15892491
2-amino-N,5-diethyl-4-(2-methoxyphenyl)thiophene-3-carboxamide
CID 82056852
4-O-ethyl 2-O-methyl 5-[(2-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 23935099
ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate
CID 2233010
ethyl (4E)-2-amino-4-[[4-(dimethylamino)phenyl]methylidene]indeno[2,1-b]thiophene-1-carboxylate
CID 101459588
3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide
CID 114830954
2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
CID 114830937
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693937

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate (CID 10565518) is ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(N)sc(-c2ccccc2OC)c1C.
What is the InChIKey of ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate?
The InChIKey is KPWYUYGBCPXIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-4-19-15(17)12-9(2)13(20-14(12)16)10-7-5-6-8-11(10)18-3/h5-8H,4,16H2,1-3H3.
What are the key properties of ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate?
ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 10565518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).