(2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate

C17H24N2O6S — CID 2361888

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H24N2O6S/c1-3-19(4-2)26(23,24)13-7-8-15(20)14(11-13)17(22)25-12-16(21)18-9-5-6-10-18/h7-8,11,20H,3-6,9-10,12H2,1-2H3
InChIKeyKSAKEDKTWVVRRQ-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.20
Rot. Bonds7

About (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate (PubChem CID 2361888) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate
PubChem CID2361888
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H24N2O6S/c1-3-19(4-2)26(23,24)13-7-8-15(20)14(11-13)17(22)25-12-16(21)18-9-5-6-10-18/h7-8,11,20H,3-6,9-10,12H2,1-2H3
InChIKeyKSAKEDKTWVVRRQ-UHFFFAOYSA-N
XLogP1.20
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-5-(pyrrolidine-1-sulfonyl)-benzoic acid
CID 737348
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
CID 2646335
2-Hydroxy-5-(pyrrolidine-1-sulfonyl)benzoic acid
CID 1652848
[2-(Tert-butylamino)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 2435854
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 2999615
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-hydroxy-3-methylbenzoate
CID 2371526
2-Oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl 5-[(diethylamino)sulfonyl]-2-hydroxybenzoate
CID 5113069
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16275278
2-Methoxy-5-(4-morpholinylsulfonyl)benzoic acid
CID 737347
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 4574982
[2-[Benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2361881
[2-(Cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2393503

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate (CID 2361888) is (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate is CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2CCCC2)c1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The InChIKey is KSAKEDKTWVVRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-3-19(4-2)26(23,24)13-7-8-15(20)14(11-13)17(22)25-12-16(21)18-9-5-6-10-18/h7-8,11,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate has a molecular weight of 384.45 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate is sourced from PubChem (CID 2361888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).