1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C17H24N2O5S — CID 54792454

IUPAC1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C17H24N2O5S/c1-3-9-18(10-4-2)25(23,24)15-7-5-14(6-8-15)19-12-13(17(21)22)11-16(19)20/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,22)
InChIKeyNYVNNJFXNILTJL-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.93
Rot. Bonds8

About 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 54792454) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID54792454
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C17H24N2O5S/c1-3-9-18(10-4-2)25(23,24)15-7-5-14(6-8-15)19-12-13(17(21)22)11-16(19)20/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,22)
InChIKeyNYVNNJFXNILTJL-UHFFFAOYSA-N
XLogP1.93
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 54792454) is 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is CCCN(CCC)S(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NYVNNJFXNILTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-3-9-18(10-4-2)25(23,24)15-7-5-14(6-8-15)19-12-13(17(21)22)11-16(19)20/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 368.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 54792454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).