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

C16H24N2O5S — CID 7796929

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
SMILESCCCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C16H24N2O5S/c1-4-8-16(20)23-12-15(19)17-13-9-7-10-14(11-13)24(21,22)18(5-2)6-3/h7,9-11H,4-6,8,12H2,1-3H3,(H,17,19)
InChIKeyPSERYSBBIWUDKQ-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.00
Rot. Bonds9

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

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate (PubChem CID 7796929) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
PubChem CID7796929
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
SMILESCCCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C16H24N2O5S/c1-4-8-16(20)23-12-15(19)17-13-9-7-10-14(11-13)24(21,22)18(5-2)6-3/h7,9-11H,4-6,8,12H2,1-3H3,(H,17,19)
InChIKeyPSERYSBBIWUDKQ-UHFFFAOYSA-N
XLogP2.00
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
CID 7790348
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065487
[2-(3-bromoanilino)-2-oxoethyl] butanoate
CID 2352053
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate
CID 55305715
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 3654824

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate (CID 7796929) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate is CCCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate?
The InChIKey is PSERYSBBIWUDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-4-8-16(20)23-12-15(19)17-13-9-7-10-14(11-13)24(21,22)18(5-2)6-3/h7,9-11H,4-6,8,12H2,1-3H3,(H,17,19).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate has a molecular weight of 356.44 g/mol, XLogP of 2.00, 9 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] butanoate is sourced from PubChem (CID 7796929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).