ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

C27H26N2O4S — CID 39768380

IUPACethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C27H26N2O4S/c1-5-33-27(32)24-21(19-9-7-6-8-10-19)15-34-26(24)28-22(30)14-29-23(31)13-17(3)20-12-16(2)11-18(4)25(20)29/h6-13,15H,5,14H2,1-4H3,(H,28,30)
InChIKeyQURXIJBUQDMVSY-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.47
Rot. Bonds6

About ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 39768380) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID39768380
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Nameethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C27H26N2O4S/c1-5-33-27(32)24-21(19-9-7-6-8-10-19)15-34-26(24)28-22(30)14-29-23(31)13-17(3)20-12-16(2)11-18(4)25(20)29/h6-13,15H,5,14H2,1-4H3,(H,28,30)
InChIKeyQURXIJBUQDMVSY-UHFFFAOYSA-N
XLogP5.47
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 39768572
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 1259842
N-phenyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768322
ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate
CID 39765123
ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2132970
ethyl 4-(4-methylphenyl)-2-[[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 44636762
ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-phenylthiophene-3-carboxylate
CID 17034906
ethyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 1276617
ethyl 4-(4-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate;oxalic acid
CID 42913355
ethyl 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 5012315
ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2430182
ethyl 2-[[2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 24534094

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 39768380) is ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1c(=O)cc(C)c2cc(C)cc(C)c21.
What is the InChIKey of ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is QURXIJBUQDMVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-5-33-27(32)24-21(19-9-7-6-8-10-19)15-34-26(24)28-22(30)14-29-23(31)13-17(3)20-12-16(2)11-18(4)25(20)29/h6-13,15H,5,14H2,1-4H3,(H,28,30).
What are the key properties of ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 474.58 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 39768380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).