2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid

C13H19NO5S — CID 79001403

IUPAC2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid
SMILESCOCCS(=O)(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C13H19NO5S/c1-13(2,12(15)16)10-4-6-11(7-5-10)14-20(17,18)9-8-19-3/h4-7,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyJLRHULUJJXDRSM-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.44
Rot. Bonds7

About 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid

2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid (PubChem CID 79001403) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid
PubChem CID79001403
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid
SMILESCOCCS(=O)(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C13H19NO5S/c1-13(2,12(15)16)10-4-6-11(7-5-10)14-20(17,18)9-8-19-3/h4-7,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyJLRHULUJJXDRSM-UHFFFAOYSA-N
XLogP1.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid
CID 114814756
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
2-[4-(3-methoxypropylsulfonylamino)phenoxy]acetic acid
CID 63772703
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110615144
1-[4-(3-methoxypropylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912994
2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide
CID 110425621
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
CID 76938646
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
4-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79149174
4-(3-methoxypropylsulfonylamino)-2-methylbenzoic acid
CID 55172688
3-hydroxy-4-(2-methoxyethylsulfonylamino)benzoic acid
CID 55009840
N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110612793

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid (CID 79001403) is 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid is COCCS(=O)(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid?
The InChIKey is JLRHULUJJXDRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-13(2,12(15)16)10-4-6-11(7-5-10)14-20(17,18)9-8-19-3/h4-7,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid?
2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 79001403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).