methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate

C22H19NO4S — CID 158047628

IUPACmethyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(CC(=O)c2cccs2)c1C
InChIInChI=1S/C22H19NO4S/c1-14-15(13-19(24)20-11-6-12-28-20)7-5-9-16(14)21(25)23-18-10-4-3-8-17(18)22(26)27-2/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyFJCHZKNYDHQXDW-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.52
Rot. Bonds6

About methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate

methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate (PubChem CID 158047628) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate
PubChem CID158047628
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Namemethyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(CC(=O)c2cccs2)c1C
InChIInChI=1S/C22H19NO4S/c1-14-15(13-19(24)20-11-6-12-28-20)7-5-9-16(14)21(25)23-18-10-4-3-8-17(18)22(26)27-2/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyFJCHZKNYDHQXDW-UHFFFAOYSA-N
XLogP4.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate with MolForge

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Related Compounds

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N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
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methyl 2-[(2-bromobenzoyl)amino]benzoate
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methyl 2-[4-[[2-(thiophene-2-carbonylamino)anilino]methyl]phenyl]benzoate
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methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate (CID 158047628) is methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(CC(=O)c2cccs2)c1C.
What is the InChIKey of methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate?
The InChIKey is FJCHZKNYDHQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-14-15(13-19(24)20-11-6-12-28-20)7-5-9-16(14)21(25)23-18-10-4-3-8-17(18)22(26)27-2/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate?
methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate has a molecular weight of 393.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 158047628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).