2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid

C15H22N2O5S — CID 2797418

IUPAC2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H22N2O5S/c1-3-9-17(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)16-11-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGBMCQAFUZADKNA-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.31
Rot. Bonds9

About 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid

2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid (PubChem CID 2797418) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid
PubChem CID2797418
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H22N2O5S/c1-3-9-17(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)16-11-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGBMCQAFUZADKNA-UHFFFAOYSA-N
XLogP1.31
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid (CID 2797418) is 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid?
The InChIKey is GBMCQAFUZADKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-9-17(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)16-11-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid?
2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid has a molecular weight of 342.42 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dipropylsulfamoyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 2797418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).