4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid

C22H24N2O7S2 — CID 18386315

IUPAC4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
SMILESO=C(O)C(CCS(=O)(=O)Nc1ccccc1)NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3
InChIInChI=1S/C22H24N2O7S2/c25-22(26)19(12-13-32(27,28)23-15-6-2-1-3-7-15)24-33(29,30)16-10-11-18-17-8-4-5-9-20(17)31-21(18)14-16/h1-3,6-7,10-11,14,19,23-24H,4-5,8-9,12-13H2,(H,25,26)
InChIKeyHNEFGOMOYFKACW-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.88
Rot. Bonds9

About 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid

4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid (PubChem CID 18386315) has the molecular formula C22H24N2O7S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
PubChem CID18386315
Molecular FormulaC22H24N2O7S2
Molecular Weight492.58 g/mol
Exact Mass492.10
IUPAC Name4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
SMILESO=C(O)C(CCS(=O)(=O)Nc1ccccc1)NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3
InChIInChI=1S/C22H24N2O7S2/c25-22(26)19(12-13-32(27,28)23-15-6-2-1-3-7-15)24-33(29,30)16-10-11-18-17-8-4-5-9-20(17)31-21(18)14-16/h1-3,6-7,10-11,14,19,23-24H,4-5,8-9,12-13H2,(H,25,26)
InChIKeyHNEFGOMOYFKACW-UHFFFAOYSA-N
XLogP2.88
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)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

Related Compounds

hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid
CID 70165066
2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid
CID 139943090
(2S)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
CID 12042324
2-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-ylsulfonylamino)-3-methylbutanoic acid
CID 18386305
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
tert-butyl (2R)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoate
CID 12042322
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 43631170
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 104934811
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
3-(3,5-dibromo-4-hydroxybenzoyl)-2-methyl-N-phenyl-1-benzofuran-6-sulfonamide
CID 59106080
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-3-yl)butanoic acid
CID 70105500

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid?
The IUPAC name of 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid (CID 18386315) is 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid is O=C(O)C(CCS(=O)(=O)Nc1ccccc1)NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3.
What is the InChIKey of 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid?
The InChIKey is HNEFGOMOYFKACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7S2/c25-22(26)19(12-13-32(27,28)23-15-6-2-1-3-7-15)24-33(29,30)16-10-11-18-17-8-4-5-9-20(17)31-21(18)14-16/h1-3,6-7,10-11,14,19,23-24H,4-5,8-9,12-13H2,(H,25,26).
What are the key properties of 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid?
4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid has a molecular weight of 492.58 g/mol, XLogP of 2.88, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 18386315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).