[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

C22H18N2O5S — CID 30817856

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H18N2O5S/c1-14(25)17-8-2-3-9-18(17)24-20(26)13-29-22(28)15-6-4-7-16(12-15)23-21(27)19-10-5-11-30-19/h2-12H,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyNVJUFSJOHLXFGT-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.00
Rot. Bonds7

About [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 30817856) has the molecular formula C22H18N2O5S and a molecular weight of 422.46 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
PubChem CID30817856
Molecular FormulaC22H18N2O5S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H18N2O5S/c1-14(25)17-8-2-3-9-18(17)24-20(26)13-29-22(28)15-6-4-7-16(12-15)23-21(27)19-10-5-11-30-19/h2-12H,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyNVJUFSJOHLXFGT-UHFFFAOYSA-N
XLogP4.00
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491917
[2-(3-chloroanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491904
ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 43029129
[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491975
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888749
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817579
[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 27044974
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888809
[2-(2-acetylanilino)-2-oxoethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8557606
[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2408217
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888732
(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7888664

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate (CID 30817856) is [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate is CC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is NVJUFSJOHLXFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5S/c1-14(25)17-8-2-3-9-18(17)24-20(26)13-29-22(28)15-6-4-7-16(12-15)23-21(27)19-10-5-11-30-19/h2-12H,13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 422.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 30817856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).