ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate

C17H20N2O3S — CID 755495

IUPACethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C)c(C(=O)NCCc2ccccc2)c1N
InChIInChI=1S/C17H20N2O3S/c1-3-22-17(21)15-14(18)13(11(2)23-15)16(20)19-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10,18H2,1-2H3,(H,19,20)
InChIKeyODYBZVBNHWUQSP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.79
Rot. Bonds6

About ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate

ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate (PubChem CID 755495) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate
PubChem CID755495
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Nameethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C)c(C(=O)NCCc2ccccc2)c1N
InChIInChI=1S/C17H20N2O3S/c1-3-22-17(21)15-14(18)13(11(2)23-15)16(20)19-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10,18H2,1-2H3,(H,19,20)
InChIKeyODYBZVBNHWUQSP-UHFFFAOYSA-N
XLogP2.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 698230
methyl 2-(acetylamino)-4-methyl-5-(N-phenylcarbamoyl)thiophene-3-carboxylate
CID 846267
Methyl 2-amino-4-methyl-5-[(2-phenylethyl)carbamoyl]thiophene-3-carboxylate
CID 2231873
3-Amino-5-methyl-4-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-thiophenecarboxylic acid ethyl ester
CID 658837
Ethyl 3-amino-4-((3-(dimethylamino)-2,2-dimethylpropyl)carbamoyl)-5-methylthiophene-2-carboxylate
CID 1911604
Ethyl 3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[3,4-d][1,2,3]triazine-7-carboxylate
CID 660050
5-[Anilino(oxo)methyl]-4-methyl-2-(1-oxopropylamino)-3-thiophenecarboxylic acid methyl ester
CID 829010
Ethyl 5-amino-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 1084374
Ethyl 2-[[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 24979599
Ethyl 2-amino-5-(cyclohexylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 759122
Ethyl 2-amino-5-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 138490342
Ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate
CID 767205

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate (CID 755495) is ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate is CCOC(=O)c1sc(C)c(C(=O)NCCc2ccccc2)c1N.
What is the InChIKey of ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate?
The InChIKey is ODYBZVBNHWUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-22-17(21)15-14(18)13(11(2)23-15)16(20)19-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate?
ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-methyl-4-(2-phenylethylcarbamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 755495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).