methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate

C23H19N3O4S — CID 29335276

IUPACmethyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c2ccccc12
InChIInChI=1S/C23H19N3O4S/c1-30-23(29)18-13-26(19-9-3-2-8-17(18)19)14-21(27)24-15-6-4-7-16(12-15)25-22(28)20-10-5-11-31-20/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyMUNJMUUQERXOQH-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.38
Rot. Bonds6

About methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate

methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate (PubChem CID 29335276) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate
PubChem CID29335276
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Namemethyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c2ccccc12
InChIInChI=1S/C23H19N3O4S/c1-30-23(29)18-13-26(19-9-3-2-8-17(18)19)14-21(27)24-15-6-4-7-16(12-15)25-22(28)20-10-5-11-31-20/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyMUNJMUUQERXOQH-UHFFFAOYSA-N
XLogP4.38
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 5043393
N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 4027629
methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate
CID 30875257
methyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34232696
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
methyl 1-[2-[4-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]indole-3-carboxylate
CID 46553810
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
methyl 1-[2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]ethyl]indole-3-carboxylate
CID 31020646
methyl 1-[2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-2-oxoethyl]indole-3-carboxylate
CID 30804609
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate (CID 29335276) is methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c2ccccc12.
What is the InChIKey of methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate?
The InChIKey is MUNJMUUQERXOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-30-23(29)18-13-26(19-9-3-2-8-17(18)19)14-21(27)24-15-6-4-7-16(12-15)25-22(28)20-10-5-11-31-20/h2-13H,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate?
methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate has a molecular weight of 433.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate is sourced from PubChem (CID 29335276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).