ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C16H32N4O5S — CID 55644485

IUPACethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1)C(C)C
InChIInChI=1S/C16H32N4O5S/c1-6-19(7-2)26(23,24)20-11-9-18(10-12-20)15(21)14(13(4)5)17-16(22)25-8-3/h13-14H,6-12H2,1-5H3,(H,17,22)
InChIKeyMLMLVIKWJVFRAE-UHFFFAOYSA-N
MW392.52 g/mol
LogP0.49
Rot. Bonds8

About ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 55644485) has the molecular formula C16H32N4O5S and a molecular weight of 392.52 g/mol. Its IUPAC name is ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID55644485
Molecular FormulaC16H32N4O5S
Molecular Weight392.52 g/mol
Exact Mass392.21
IUPAC Nameethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1)C(C)C
InChIInChI=1S/C16H32N4O5S/c1-6-19(7-2)26(23,24)20-11-9-18(10-12-20)15(21)14(13(4)5)17-16(22)25-8-3/h13-14H,6-12H2,1-5H3,(H,17,22)
InChIKeyMLMLVIKWJVFRAE-UHFFFAOYSA-N
XLogP0.49
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 55644485) is ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1)C(C)C.
What is the InChIKey of ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is MLMLVIKWJVFRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O5S/c1-6-19(7-2)26(23,24)20-11-9-18(10-12-20)15(21)14(13(4)5)17-16(22)25-8-3/h13-14H,6-12H2,1-5H3,(H,17,22).
What are the key properties of ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 392.52 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 55644485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).