ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate

C14H21NO6S — CID 97307640

IUPACethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H21NO6S/c1-4-20-11-6-8-12(9-7-11)22(18,19)15-10-14(3,17)13(16)21-5-2/h6-9,15,17H,4-5,10H2,1-3H3/t14-/m1/s1
InChIKeyGRNYCVAJISKCJR-CQSZACIVSA-N
MW331.39 g/mol
LogP0.68
Rot. Bonds8

About ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate

ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate (PubChem CID 97307640) has the molecular formula C14H21NO6S and a molecular weight of 331.39 g/mol. Its IUPAC name is ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate
PubChem CID97307640
Molecular FormulaC14H21NO6S
Molecular Weight331.39 g/mol
Exact Mass331.11
IUPAC Nameethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H21NO6S/c1-4-20-11-6-8-12(9-7-11)22(18,19)15-10-14(3,17)13(16)21-5-2/h6-9,15,17H,4-5,10H2,1-3H3/t14-/m1/s1
InChIKeyGRNYCVAJISKCJR-CQSZACIVSA-N
XLogP0.68
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
CID 114383933
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 121085972
ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate
CID 97307644
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
(4-methylphenyl) 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 110670646
2-[[(4-ethoxyphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65220960
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate?
The IUPAC name of ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate (CID 97307640) is ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate is CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate?
The InChIKey is GRNYCVAJISKCJR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO6S/c1-4-20-11-6-8-12(9-7-11)22(18,19)15-10-14(3,17)13(16)21-5-2/h6-9,15,17H,4-5,10H2,1-3H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate?
ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate has a molecular weight of 331.39 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 97307640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).