methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate

C20H31N3O5S — CID 8742308

IUPACmethyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC(C(=O)OC)CC2)ccc1C
InChIInChI=1S/C20H31N3O5S/c1-5-23(6-2)29(26,27)18-13-17(8-7-15(18)3)21-19(24)14-22-11-9-16(10-12-22)20(25)28-4/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,21,24)
InChIKeyJFIAYCLDBKCCQG-UHFFFAOYSA-N
MW425.55 g/mol
LogP1.85
Rot. Bonds8

About methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8742308) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8742308
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Namemethyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC(C(=O)OC)CC2)ccc1C
InChIInChI=1S/C20H31N3O5S/c1-5-23(6-2)29(26,27)18-13-17(8-7-15(18)3)21-19(24)14-22-11-9-16(10-12-22)20(25)28-4/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,21,24)
InChIKeyJFIAYCLDBKCCQG-UHFFFAOYSA-N
XLogP1.85
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16605869
methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742544
methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
CID 119907721
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659
methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731413
methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742171
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020660
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095
N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
CID 3667035
methyl 3-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]sulfanylpropanoate
CID 8785479

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate (CID 8742308) is methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate is CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC(C(=O)OC)CC2)ccc1C.
What is the InChIKey of methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is JFIAYCLDBKCCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-5-23(6-2)29(26,27)18-13-17(8-7-15(18)3)21-19(24)14-22-11-9-16(10-12-22)20(25)28-4/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,21,24).
What are the key properties of methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 425.55 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8742308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).