[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate

C17H24N2O5S — CID 7717421

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCC2)c1
InChIInChI=1S/C17H24N2O5S/c1-3-19(4-2)25(22,23)15-10-6-9-14(11-15)18-16(20)12-24-17(21)13-7-5-8-13/h6,9-11,13H,3-5,7-8,12H2,1-2H3,(H,18,20)
InChIKeyWCGQGUHZOCBKJO-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.00
Rot. Bonds8

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 7717421) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID7717421
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCC2)c1
InChIInChI=1S/C17H24N2O5S/c1-3-19(4-2)25(22,23)15-10-6-9-14(11-15)18-16(20)12-24-17(21)13-7-5-8-13/h6,9-11,13H,3-5,7-8,12H2,1-2H3,(H,18,20)
InChIKeyWCGQGUHZOCBKJO-UHFFFAOYSA-N
XLogP2.00
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065487
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717506
ethyl (3R)-1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8532936
[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717433
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7809321
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863201

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate (CID 7717421) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCC2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is WCGQGUHZOCBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-3-19(4-2)25(22,23)15-10-6-9-14(11-15)18-16(20)12-24-17(21)13-7-5-8-13/h6,9-11,13H,3-5,7-8,12H2,1-2H3,(H,18,20).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 368.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 7717421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).