ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate

C19H24Cl2N2O7S — CID 16565684

IUPACethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H24Cl2N2O7S/c1-3-29-19(26)13-6-8-23(9-7-13)17(24)11-30-18(25)12(2)22-31(27,28)14-4-5-15(20)16(21)10-14/h4-5,10,12-13,22H,3,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyRQOXEVQNSTYAPE-LBPRGKRZSA-N
MW495.38 g/mol
LogP2.01
Rot. Bonds8

About ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 16565684) has the molecular formula C19H24Cl2N2O7S and a molecular weight of 495.38 g/mol. Its IUPAC name is ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID16565684
Molecular FormulaC19H24Cl2N2O7S
Molecular Weight495.38 g/mol
Exact Mass494.07
IUPAC Nameethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H24Cl2N2O7S/c1-3-29-19(26)13-6-8-23(9-7-13)17(24)11-30-18(25)12(2)22-31(27,28)14-4-5-15(20)16(21)10-14/h4-5,10,12-13,22H,3,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyRQOXEVQNSTYAPE-LBPRGKRZSA-N
XLogP2.01
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 126199408
ethyl 1-[2-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23882256
ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 124640325
1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 126383545
ethyl 1-[2-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 4147904
ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
CID 8707727
ethyl 1-[2-[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 35776823
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 16565738
ethyl 2-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate
CID 61499300
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate
CID 42982150
ethyl 1-[2-(5-chloro-2-hydroxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 8604247

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate (CID 16565684) is ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is RQOXEVQNSTYAPE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24Cl2N2O7S/c1-3-29-19(26)13-6-8-23(9-7-13)17(24)11-30-18(25)12(2)22-31(27,28)14-4-5-15(20)16(21)10-14/h4-5,10,12-13,22H,3,6-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 495.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 16565684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).