3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid

C19H19N5O5S — CID 68503750

IUPAC3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1cc(-c3nn[nH]n3)ccc12)C(=O)O
InChIInChI=1S/C19H19N5O5S/c1-3-10(2)17(19(25)26)22-30(27,28)12-5-7-14-13-6-4-11(18-20-23-24-21-18)8-15(13)29-16(14)9-12/h4-10,17,22H,3H2,1-2H3,(H,25,26)(H,20,21,23,24)
InChIKeyJGLCGHQYSLMZQS-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.54
Rot. Bonds7

About 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid

3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid (PubChem CID 68503750) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid
PubChem CID68503750
Molecular FormulaC19H19N5O5S
Molecular Weight429.46 g/mol
Exact Mass429.11
IUPAC Name3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1cc(-c3nn[nH]n3)ccc12)C(=O)O
InChIInChI=1S/C19H19N5O5S/c1-3-10(2)17(19(25)26)22-30(27,28)12-5-7-14-13-6-4-11(18-20-23-24-21-18)8-15(13)29-16(14)9-12/h4-10,17,22H,3H2,1-2H3,(H,25,26)(H,20,21,23,24)
InChIKeyJGLCGHQYSLMZQS-UHFFFAOYSA-N
XLogP2.54
TPSA151.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic 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

2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
(2S)-3-methyl-2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid
CID 68502473
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173476
(2S)-2-[(4-carbamoylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173826
3-methyl-2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]butanoic acid
CID 68501704
(2S)-3-methyl-2-[[8-(5-methyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid
CID 57401026
(2S,3S)-3-methyl-2-[[4-(methylcarbamoyl)phenyl]sulfonylamino]pentanoic acid
CID 119418115
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296
methyl (2S)-3-methyl-2-[[7-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]butanoate
CID 68504819
(2R)-3-methyl-2-[[7-(1-methylpyrazol-4-yl)dibenzofuran-2-yl]sulfonylamino]butanoic acid
CID 25121091
5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
CID 5120365
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid (CID 68503750) is 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid is CCC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1cc(-c3nn[nH]n3)ccc12)C(=O)O.
What is the InChIKey of 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid?
The InChIKey is JGLCGHQYSLMZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5S/c1-3-10(2)17(19(25)26)22-30(27,28)12-5-7-14-13-6-4-11(18-20-23-24-21-18)8-15(13)29-16(14)9-12/h4-10,17,22H,3H2,1-2H3,(H,25,26)(H,20,21,23,24).
What are the key properties of 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid?
3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid has a molecular weight of 429.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[7-(2H-tetrazol-5-yl)dibenzofuran-3-yl]sulfonylamino]pentanoic acid is sourced from PubChem (CID 68503750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).