5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid

C17H22N2O5S — CID 157430688

IUPAC5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid
SMILESCCCCS(=O)(=O)Nc1ccc2ccn(CC(=O)CCC(=O)O)c2c1
InChIInChI=1S/C17H22N2O5S/c1-2-3-10-25(23,24)18-14-5-4-13-8-9-19(16(13)11-14)12-15(20)6-7-17(21)22/h4-5,8-9,11,18H,2-3,6-7,10,12H2,1H3,(H,21,22)
InChIKeyQHAONAJDNFWBDF-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.62
Rot. Bonds10

About 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid

5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid (PubChem CID 157430688) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid
PubChem CID157430688
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid
SMILESCCCCS(=O)(=O)Nc1ccc2ccn(CC(=O)CCC(=O)O)c2c1
InChIInChI=1S/C17H22N2O5S/c1-2-3-10-25(23,24)18-14-5-4-13-8-9-19(16(13)11-14)12-15(20)6-7-17(21)22/h4-5,8-9,11,18H,2-3,6-7,10,12H2,1H3,(H,21,22)
InChIKeyQHAONAJDNFWBDF-UHFFFAOYSA-N
XLogP2.62
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid
CID 158088681
3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
CID 71990600
1-(2-oxopentyl)indole-6-carbonitrile
CID 107916852
N-(1H-indol-6-yl)butane-1-sulfonamide
CID 110730847
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide
CID 110779248
2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
CID 119957554
ethane;methane;2-(5-propylsulfonylindol-1-yl)acetic acid;2-(6-propylsulfonylindol-1-yl)acetic acid
CID 158485729
N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide
CID 35521147
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
CID 43699767
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841

Frequently Asked Questions

What is the IUPAC name of 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid?
The IUPAC name of 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid (CID 157430688) is 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid.
What is the SMILES notation for 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid?
The canonical SMILES for 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid is CCCCS(=O)(=O)Nc1ccc2ccn(CC(=O)CCC(=O)O)c2c1.
What is the InChIKey of 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid?
The InChIKey is QHAONAJDNFWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-2-3-10-25(23,24)18-14-5-4-13-8-9-19(16(13)11-14)12-15(20)6-7-17(21)22/h4-5,8-9,11,18H,2-3,6-7,10,12H2,1H3,(H,21,22).
What are the key properties of 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid?
5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid has a molecular weight of 366.44 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(butylsulfonylamino)indol-1-yl]-4-oxopentanoic acid is sourced from PubChem (CID 157430688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).