1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C23H28N4O4S — CID 55680561

IUPAC1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1
InChIInChI=1S/C23H28N4O4S/c1-31-19-8-4-2-6-17(19)26-23(30)16-10-12-27(13-11-16)14-22(29)25-18-7-3-5-9-20(18)32-15-21(24)28/h2-9,16H,10-15H2,1H3,(H2,24,28)(H,25,29)(H,26,30)
InChIKeyVCZZEPBVBYDUAZ-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.56
Rot. Bonds9

About 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 55680561) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID55680561
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1
InChIInChI=1S/C23H28N4O4S/c1-31-19-8-4-2-6-17(19)26-23(30)16-10-12-27(13-11-16)14-22(29)25-18-7-3-5-9-20(18)32-15-21(24)28/h2-9,16H,10-15H2,1H3,(H2,24,28)(H,25,29)(H,26,30)
InChIKeyVCZZEPBVBYDUAZ-UHFFFAOYSA-N
XLogP2.56
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 37177063
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
1-[2-(4-iodoanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680524
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 171998883
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 37177131
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37176954
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37177808
N-cyclopropyl-1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 166601973
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
ethyl (3S)-1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]piperidine-3-carboxylate
CID 9035095

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 55680561) is 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1.
What is the InChIKey of 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is VCZZEPBVBYDUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-31-19-8-4-2-6-17(19)26-23(30)16-10-12-27(13-11-16)14-22(29)25-18-7-3-5-9-20(18)32-15-21(24)28/h2-9,16H,10-15H2,1H3,(H2,24,28)(H,25,29)(H,26,30).
What are the key properties of 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55680561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).