ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate

C18H27N3O5S — CID 6456631

IUPACethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C18H27N3O5S/c1-4-26-18(23)15-10-12-20(13-11-15)17(22)14-21(27(24,25)19(2)3)16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3
InChIKeyQXUHSDGBCHUGRM-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.10
Rot. Bonds7

About ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate (PubChem CID 6456631) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
PubChem CID6456631
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Nameethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C18H27N3O5S/c1-4-26-18(23)15-10-12-20(13-11-15)17(22)14-21(27(24,25)19(2)3)16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3
InChIKeyQXUHSDGBCHUGRM-UHFFFAOYSA-N
XLogP1.10
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
CID 1289654
ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate
CID 23769142
2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 2711978
ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
CID 3546283
ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
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
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 30267747
ethyl 1-[2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]piperidine-4-carboxylate
CID 2197064
ethyl 1-[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076440

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate (CID 6456631) is ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1.
What is the InChIKey of ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate?
The InChIKey is QXUHSDGBCHUGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-4-26-18(23)15-10-12-20(13-11-15)17(22)14-21(27(24,25)19(2)3)16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3.
What are the key properties of ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 6456631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).