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

C12H17NO5S — CID 61261369

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO5S/c1-4-18-9-5-7-10(8-6-9)19(16,17)13-12(2,3)11(14)15/h5-8,13H,4H2,1-3H3,(H,14,15)
InChIKeyNDTXHXVXNKFCDZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.23
Rot. Bonds6

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

2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61261369) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61261369
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO5S/c1-4-18-9-5-7-10(8-6-9)19(16,17)13-12(2,3)11(14)15/h5-8,13H,4H2,1-3H3,(H,14,15)
InChIKeyNDTXHXVXNKFCDZ-UHFFFAOYSA-N
XLogP1.23
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270
4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid
CID 65263874
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
2-[[(4-ethoxyphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65220960
2-[4-(tert-butylsulfamoyl)phenoxy]acetate
CID 7321312
2-[[2-(4-ethoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261354
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid (CID 61261369) is 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid is CCOc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is NDTXHXVXNKFCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-4-18-9-5-7-10(8-6-9)19(16,17)13-12(2,3)11(14)15/h5-8,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid?
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.23, 6 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-methylpropanoic acid is sourced from PubChem (CID 61261369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).