2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid

C14H21NO5S — CID 43619270

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1ccc(OCC)cc1)C(=O)O
InChIInChI=1S/C14H21NO5S/c1-4-10-14(3,13(16)17)15-21(18,19)12-8-6-11(7-9-12)20-5-2/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyAVRDKNOMTHKAFL-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.01
Rot. Bonds8

About 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid

2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid (PubChem CID 43619270) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
PubChem CID43619270
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1ccc(OCC)cc1)C(=O)O
InChIInChI=1S/C14H21NO5S/c1-4-10-14(3,13(16)17)15-21(18,19)12-8-6-11(7-9-12)20-5-2/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyAVRDKNOMTHKAFL-UHFFFAOYSA-N
XLogP2.01
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic 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-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61182733
4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619191
2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
CID 60824677
2-[[(4-ethoxyphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65220960
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
2-[4-(tert-butylsulfamoyl)phenoxy]acetate
CID 7321312

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid (CID 43619270) is 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid is CCCC(C)(NS(=O)(=O)c1ccc(OCC)cc1)C(=O)O.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid?
The InChIKey is AVRDKNOMTHKAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-4-10-14(3,13(16)17)15-21(18,19)12-8-6-11(7-9-12)20-5-2/h6-9,15H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid?
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid has a molecular weight of 315.39 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).