tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate

C24H31NO7S — CID 66916712

IUPACtert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNCC(=O)OC(C)(C)CS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H31NO7S/c1-23(2,3)31-21(26)15-25-16-22(27)32-24(4,5)17-33(28,29)20-13-11-19(12-14-20)30-18-9-7-6-8-10-18/h6-14,25H,15-17H2,1-5H3
InChIKeyWXLPPQRDBYURSF-UHFFFAOYSA-N
MW477.58 g/mol
LogP3.51
Rot. Bonds10

About tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate

tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate (PubChem CID 66916712) has the molecular formula C24H31NO7S and a molecular weight of 477.58 g/mol. Its IUPAC name is tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate
PubChem CID66916712
Molecular FormulaC24H31NO7S
Molecular Weight477.58 g/mol
Exact Mass477.18
IUPAC Nametert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNCC(=O)OC(C)(C)CS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H31NO7S/c1-23(2,3)31-21(26)15-25-16-22(27)32-24(4,5)17-33(28,29)20-13-11-19(12-14-20)30-18-9-7-6-8-10-18/h6-14,25H,15-17H2,1-5H3
InChIKeyWXLPPQRDBYURSF-UHFFFAOYSA-N
XLogP3.51
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate 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

tert-butyl 2-(2-phenoxyethylamino)acetate
CID 60676799
2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
CID 18406833
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
N-hydroxy-2-(4-phenoxyphenyl)sulfonylacetamide
CID 11616500
tert-butyl N-[5-[(4-phenoxyphenyl)sulfonylamino]pentyl]carbamate
CID 66727891
2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
CID 21130554
methyl 2-[(2-chloroacetyl)amino]-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoate
CID 22893204
N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide
CID 12968522
tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate
CID 78994150
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
4-(4-phenoxyphenyl)sulfonylbutane-2-thiol
CID 54239050

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate (CID 66916712) is tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate is CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)CS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate?
The InChIKey is WXLPPQRDBYURSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO7S/c1-23(2,3)31-21(26)15-25-16-22(27)32-24(4,5)17-33(28,29)20-13-11-19(12-14-20)30-18-9-7-6-8-10-18/h6-14,25H,15-17H2,1-5H3.
What are the key properties of tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate?
tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate has a molecular weight of 477.58 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate is sourced from PubChem (CID 66916712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).