2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid

C24H24N2O5S2 — CID 54121910

IUPAC2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid
SMILESCc1ccc(SNCCCC(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C(=O)O)cc1
InChIInChI=1S/C24H24N2O5S2/c1-16-8-10-17(11-9-16)32-25-14-4-6-21(24(27)28)26-33(29,30)18-12-13-23-20(15-18)19-5-2-3-7-22(19)31-23/h2-3,5,7-13,15,21,25-26H,4,6,14H2,1H3,(H,27,28)
InChIKeyNOHPAHUIWXBUGM-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.70
Rot. Bonds10

About 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid

2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid (PubChem CID 54121910) has the molecular formula C24H24N2O5S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid.

Molecular Properties

Compound Name2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid
PubChem CID54121910
Molecular FormulaC24H24N2O5S2
Molecular Weight484.60 g/mol
Exact Mass484.11
IUPAC Name2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid
SMILESCc1ccc(SNCCCC(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C(=O)O)cc1
InChIInChI=1S/C24H24N2O5S2/c1-16-8-10-17(11-9-16)32-25-14-4-6-21(24(27)28)26-33(29,30)18-12-13-23-20(15-18)19-5-2-3-7-22(19)31-23/h2-3,5,7-13,15,21,25-26H,4,6,14H2,1H3,(H,27,28)
InChIKeyNOHPAHUIWXBUGM-UHFFFAOYSA-N
XLogP4.70
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
CID 173217037
4-chloro-2-[(4-methylphenyl)sulfonylamino]butanoic acid
CID 19391793
(2S)-2-[(4-methylphenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 3013735
(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
CID 54264937
2-[3-[4-[4-(4-methylphenyl)sulfonylsulfanylphenyl]phenyl]phenyl]dibenzofuran
CID 129199524

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid?
The IUPAC name of 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid (CID 54121910) is 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid.
What is the SMILES notation for 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid?
The canonical SMILES for 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid is Cc1ccc(SNCCCC(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C(=O)O)cc1.
What is the InChIKey of 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid?
The InChIKey is NOHPAHUIWXBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S2/c1-16-8-10-17(11-9-16)32-25-14-4-6-21(24(27)28)26-33(29,30)18-12-13-23-20(15-18)19-5-2-3-7-22(19)31-23/h2-3,5,7-13,15,21,25-26H,4,6,14H2,1H3,(H,27,28).
What are the key properties of 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid?
2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid has a molecular weight of 484.60 g/mol, XLogP of 4.70, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid is sourced from PubChem (CID 54121910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).