ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate

C18H25ClN2O5S — CID 126032460

IUPACethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)CC1
InChIInChI=1S/C18H25ClN2O5S/c1-4-26-18(23)14-7-9-20(10-8-14)17(22)12-21(27(3,24)25)16-6-5-15(19)11-13(16)2/h5-6,11,14H,4,7-10,12H2,1-3H3
InChIKeyZWJQJTVIKKYEOT-UHFFFAOYSA-N
MW416.93 g/mol
LogP2.22
Rot. Bonds6

About ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate (PubChem CID 126032460) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
PubChem CID126032460
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Nameethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)CC1
InChIInChI=1S/C18H25ClN2O5S/c1-4-26-18(23)14-7-9-20(10-8-14)17(22)12-21(27(3,24)25)16-6-5-15(19)11-13(16)2/h5-6,11,14H,4,7-10,12H2,1-3H3
InChIKeyZWJQJTVIKKYEOT-UHFFFAOYSA-N
XLogP2.22
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
ethyl 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetyl]piperidine-4-carboxylate
CID 2967331
ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344
ethyl 1-[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]piperidine-4-carboxylate
CID 2973500
ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30267760
N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387
1-[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]piperidine-4-carboxamide
CID 126031541
ethyl 1-[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076440
ethyl 1-[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]piperidine-4-carboxylate
CID 21373370
ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate
CID 46418830
ethyl 1-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate
CID 2947419
ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
CID 6456631

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate (CID 126032460) is ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is ZWJQJTVIKKYEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5S/c1-4-26-18(23)14-7-9-20(10-8-14)17(22)12-21(27(3,24)25)16-6-5-15(19)11-13(16)2/h5-6,11,14H,4,7-10,12H2,1-3H3.
What are the key properties of ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate has a molecular weight of 416.93 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 126032460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).