[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

C21H24N2O7S — CID 39968800

IUPAC[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESC[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C21H24N2O7S/c1-14(19(24)15-5-7-17(8-6-15)22-31(2,27)28)30-21(26)16-9-11-23(12-10-16)20(25)18-4-3-13-29-18/h3-8,13-14,16,22H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyINTPDOSGHBORMH-AWEZNQCLSA-N
MW448.50 g/mol
LogP2.32
Rot. Bonds7

About [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 39968800) has the molecular formula C21H24N2O7S and a molecular weight of 448.50 g/mol. Its IUPAC name is [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID39968800
Molecular FormulaC21H24N2O7S
Molecular Weight448.50 g/mol
Exact Mass448.13
IUPAC Name[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESC[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C21H24N2O7S/c1-14(19(24)15-5-7-17(8-6-15)22-31(2,27)28)30-21(26)16-9-11-23(12-10-16)20(25)18-4-3-13-29-18/h3-8,13-14,16,22H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyINTPDOSGHBORMH-AWEZNQCLSA-N
XLogP2.32
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
CID 108544713
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46626989
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55424509
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609824
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635136
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635137
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836674
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360104
1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 16606706

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 39968800) is [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is INTPDOSGHBORMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N2O7S/c1-14(19(24)15-5-7-17(8-6-15)22-31(2,27)28)30-21(26)16-9-11-23(12-10-16)20(25)18-4-3-13-29-18/h3-8,13-14,16,22H,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 448.50 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 39968800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).