[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate

C25H24N4O5S — CID 33065558

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C25H24N4O5S/c30-22(28-11-13-29(14-12-28)25(33)27-19-7-2-1-3-8-19)17-34-24(32)18-6-4-9-20(16-18)26-23(31)21-10-5-15-35-21/h1-10,15-16H,11-14,17H2,(H,26,31)(H,27,33)
InChIKeyLCAHQUNBJOTDAC-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.53
Rot. Bonds6

About [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 33065558) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate
PubChem CID33065558
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C25H24N4O5S/c30-22(28-11-13-29(14-12-28)25(33)27-19-7-2-1-3-8-19)17-34-24(32)18-6-4-9-20(16-18)26-23(31)21-10-5-15-35-21/h1-10,15-16H,11-14,17H2,(H,26,31)(H,27,33)
InChIKeyLCAHQUNBJOTDAC-UHFFFAOYSA-N
XLogP3.53
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491883
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491891
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 31803292
[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491975
[2-(3-chloroanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491904
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromothiophene-2-carboxylate
CID 27263141
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817856
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888809
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30819107
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30818019
(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7888664
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate (CID 33065558) is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate is O=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is LCAHQUNBJOTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c30-22(28-11-13-29(14-12-28)25(33)27-19-7-2-1-3-8-19)17-34-24(32)18-6-4-9-20(16-18)26-23(31)21-10-5-15-35-21/h1-10,15-16H,11-14,17H2,(H,26,31)(H,27,33).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate?
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 492.56 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 33065558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).