ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate

C14H21NO5S — CID 60817579

IUPACethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H21NO5S/c1-4-19-14(16)9-15-21(17,18)13-7-5-12(6-8-13)20-10-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyQORGACNBEFIJOQ-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.56
Rot. Bonds8

About ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate

ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate (PubChem CID 60817579) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
PubChem CID60817579
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Nameethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H21NO5S/c1-4-19-14(16)9-15-21(17,18)13-7-5-12(6-8-13)20-10-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyQORGACNBEFIJOQ-UHFFFAOYSA-N
XLogP1.56
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]acetate
CID 54921028
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64541271
(2S)-2-hydroxy-3-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 104935849
(4-methylphenyl) 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 110670646
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925423
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate?
The IUPAC name of ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate (CID 60817579) is ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate?
The InChIKey is QORGACNBEFIJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-4-19-14(16)9-15-21(17,18)13-7-5-12(6-8-13)20-10-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate?
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate has a molecular weight of 315.39 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 60817579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).