4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid

C22H24N2O5S — CID 3245505

IUPAC4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C22H24N2O5S/c25-21(10-11-22(26)27)24-13-12-16-14-17(8-9-20(16)24)30(28,29)23-19-7-3-5-15-4-1-2-6-18(15)19/h1-2,4,6,8-9,14,19,23H,3,5,7,10-13H2,(H,26,27)
InChIKeyAOUWQUSRMDJTJV-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.80
Rot. Bonds6

About 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid

4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid (PubChem CID 3245505) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
PubChem CID3245505
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C22H24N2O5S/c25-21(10-11-22(26)27)24-13-12-16-14-17(8-9-20(16)24)30(28,29)23-19-7-3-5-15-4-1-2-6-18(15)19/h1-2,4,6,8-9,14,19,23H,3,5,7,10-13H2,(H,26,27)
InChIKeyAOUWQUSRMDJTJV-UHFFFAOYSA-N
XLogP2.80
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid?
The IUPAC name of 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid (CID 3245505) is 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid?
The canonical SMILES for 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid is O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21.
What is the InChIKey of 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid?
The InChIKey is AOUWQUSRMDJTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c25-21(10-11-22(26)27)24-13-12-16-14-17(8-9-20(16)24)30(28,29)23-19-7-3-5-15-4-1-2-6-18(15)19/h1-2,4,6,8-9,14,19,23H,3,5,7,10-13H2,(H,26,27).
What are the key properties of 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid?
4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid has a molecular weight of 428.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid is sourced from PubChem (CID 3245505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).