4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid

C19H23NO5S — CID 3293561

IUPAC4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C19H23NO5S/c1-13(2)12-17(19(21)22)20-26(23,24)16-10-8-15(9-11-16)25-18-7-5-4-6-14(18)3/h4-11,13,17,20H,12H2,1-3H3,(H,21,22)
InChIKeyDDTGJTCEKLOLRD-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.56
Rot. Bonds8

About 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid

4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid (PubChem CID 3293561) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid
PubChem CID3293561
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C19H23NO5S/c1-13(2)12-17(19(21)22)20-26(23,24)16-10-8-15(9-11-16)25-18-7-5-4-6-14(18)3/h4-11,13,17,20H,12H2,1-3H3,(H,21,22)
InChIKeyDDTGJTCEKLOLRD-UHFFFAOYSA-N
XLogP3.56
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[4-(2-methylphenoxy)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid (CID 3293561) is 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid is Cc1ccccc1Oc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)cc1.
What is the InChIKey of 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid?
The InChIKey is DDTGJTCEKLOLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13(2)12-17(19(21)22)20-26(23,24)16-10-8-15(9-11-16)25-18-7-5-4-6-14(18)3/h4-11,13,17,20H,12H2,1-3H3,(H,21,22).
What are the key properties of 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid?
4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid has a molecular weight of 377.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]pentanoic acid is sourced from PubChem (CID 3293561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).