ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate

C17H20N2O3S — CID 2233010

IUPACethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(C(=O)N[C@H](C)c2ccccc2)c1C
InChIInChI=1S/C17H20N2O3S/c1-4-22-17(21)13-10(2)14(23-15(13)18)16(20)19-11(3)12-8-6-5-7-9-12/h5-9,11H,4,18H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyBQUULYKLLGAJHI-LLVKDONJSA-N
MW332.43 g/mol
LogP3.31
Rot. Bonds5

About ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate

ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate (PubChem CID 2233010) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate
PubChem CID2233010
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Nameethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N)sc(C(=O)N[C@H](C)c2ccccc2)c1C
InChIInChI=1S/C17H20N2O3S/c1-4-22-17(21)13-10(2)14(23-15(13)18)16(20)19-11(3)12-8-6-5-7-9-12/h5-9,11H,4,18H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyBQUULYKLLGAJHI-LLVKDONJSA-N
XLogP3.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
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-benzamido-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17061853
ethyl 4-methyl-2-(2-methylpropanoylamino)-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17062596
ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17061616
ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17061595
ethyl 2-[(3-fluorobenzoyl)amino]-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17063749
ethyl 2-amino-5-benzoyl-4-methylthiophene-3-carboxylate
CID 53364230
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[[(1R)-1-phenylethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 2684463
ethyl 4-(1-benzamidoethyl)benzoate
CID 164679165
ethyl 5-acetyl-4-methyl-2-[[2-[[(1R)-1-phenylethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 2684431
ethyl 4-methyl-2-[(2-phenoxyacetyl)amino]-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17061992
ethyl 2-amino-5-(methylcarbamoyl)-4-[[(2S)-2-phenylbutanoyl]oxymethyl]thiophene-3-carboxylate
CID 8753998
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate (CID 2233010) is ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate is CCOC(=O)c1c(N)sc(C(=O)N[C@H](C)c2ccccc2)c1C.
What is the InChIKey of ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate?
The InChIKey is BQUULYKLLGAJHI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-22-17(21)13-10(2)14(23-15(13)18)16(20)19-11(3)12-8-6-5-7-9-12/h5-9,11H,4,18H2,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate?
ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate is sourced from PubChem (CID 2233010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).