ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate

C21H33N3O6S — CID 42948243

IUPACethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)C1
InChIInChI=1S/C21H33N3O6S/c1-5-24(6-2)31(27,28)17-11-12-19(29-7-3)18(14-17)22-20(25)16-10-9-13-23(15-16)21(26)30-8-4/h11-12,14,16H,5-10,13,15H2,1-4H3,(H,22,25)
InChIKeyQJJUVEOOFYQNQY-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.92
Rot. Bonds9

About ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate

ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 42948243) has the molecular formula C21H33N3O6S and a molecular weight of 455.58 g/mol. Its IUPAC name is ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID42948243
Molecular FormulaC21H33N3O6S
Molecular Weight455.58 g/mol
Exact Mass455.21
IUPAC Nameethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)C1
InChIInChI=1S/C21H33N3O6S/c1-5-24(6-2)31(27,28)17-11-12-19(29-7-3)18(14-17)22-20(25)16-10-9-13-23(15-16)21(26)30-8-4/h11-12,14,16H,5-10,13,15H2,1-4H3,(H,22,25)
InChIKeyQJJUVEOOFYQNQY-UHFFFAOYSA-N
XLogP2.92
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683535
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 133163529
trans-[2-[5-(diethylsulfamoyl)-2-ethoxyanilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230478
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate (CID 42948243) is ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)C1.
What is the InChIKey of ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is QJJUVEOOFYQNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O6S/c1-5-24(6-2)31(27,28)17-11-12-19(29-7-3)18(14-17)22-20(25)16-10-9-13-23(15-16)21(26)30-8-4/h11-12,14,16H,5-10,13,15H2,1-4H3,(H,22,25).
What are the key properties of ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate?
ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 455.58 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 42948243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).