ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate

C23H27FN2O5S — CID 42701581

IUPACethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O5S/c1-2-31-23(28)18-9-6-14-26(16-18)22(27)21(15-17-7-4-3-5-8-17)25-32(29,30)20-12-10-19(24)11-13-20/h3-5,7-8,10-13,18,21,25H,2,6,9,14-16H2,1H3
InChIKeyQWWBLROMMCTIHN-UHFFFAOYSA-N
MW462.54 g/mol
LogP2.52
Rot. Bonds8

About ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate

ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate (PubChem CID 42701581) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate
PubChem CID42701581
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Nameethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O5S/c1-2-31-23(28)18-9-6-14-26(16-18)22(27)21(15-17-7-4-3-5-8-17)25-32(29,30)20-12-10-19(24)11-13-20/h3-5,7-8,10-13,18,21,25H,2,6,9,14-16H2,1H3
InChIKeyQWWBLROMMCTIHN-UHFFFAOYSA-N
XLogP2.52
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30143541
ethyl 1-[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30142685
ethyl 1-[2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 43888842
ethyl 1-[(2R)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
CID 92698380
ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30144014
4-ethoxy-N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30144454
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoyl]piperidine-3-carboxamide
CID 45356107
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347324
ethyl 1-[(2S)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
CID 92665468
ethyl 1-[2-[(4-chloro-3-nitrobenzoyl)amino]-3-phenylpropanoyl]piperidine-3-carboxylate
CID 42701577
(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
4-fluoro-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30143593

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate (CID 42701581) is ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate?
The InChIKey is QWWBLROMMCTIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c1-2-31-23(28)18-9-6-14-26(16-18)22(27)21(15-17-7-4-3-5-8-17)25-32(29,30)20-12-10-19(24)11-13-20/h3-5,7-8,10-13,18,21,25H,2,6,9,14-16H2,1H3.
What are the key properties of ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate?
ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate has a molecular weight of 462.54 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 42701581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).