methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate

C22H20BrNO5S — CID 154634382

IUPACmethyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20BrNO5S/c1-28-22(25)21(24-30(26,27)20-13-9-18(23)10-14-20)17-7-11-19(12-8-17)29-15-16-5-3-2-4-6-16/h2-14,21,24H,15H2,1H3/t21-/m1/s1
InChIKeyFZXYRGFEYVWDNN-OAQYLSRUSA-N
MW490.38 g/mol
LogP4.22
Rot. Bonds8

About methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate

methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate (PubChem CID 154634382) has the molecular formula C22H20BrNO5S and a molecular weight of 490.38 g/mol. Its IUPAC name is methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate
PubChem CID154634382
Molecular FormulaC22H20BrNO5S
Molecular Weight490.38 g/mol
Exact Mass489.02
IUPAC Namemethyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20BrNO5S/c1-28-22(25)21(24-30(26,27)20-13-9-18(23)10-14-20)17-7-11-19(12-8-17)29-15-16-5-3-2-4-6-16/h2-14,21,24H,15H2,1H3/t21-/m1/s1
InChIKeyFZXYRGFEYVWDNN-OAQYLSRUSA-N
XLogP4.22
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
methyl 2-(benzenesulfonamido)-2-[4-(benzenesulfonyloxy)phenyl]acetate
CID 10766425
(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate
CID 6973917
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
ethyl 2-[(4-butoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3688454
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
CID 3676370
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645902
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645904
methyl 2-[(4-cyanophenyl)sulfonylamino]-2-phenylacetate
CID 3861560
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
2-[(4-bromophenyl)sulfonylamino]-3-phenylmethoxybutanamide
CID 6735066

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate (CID 154634382) is methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate is COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate?
The InChIKey is FZXYRGFEYVWDNN-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20BrNO5S/c1-28-22(25)21(24-30(26,27)20-13-9-18(23)10-14-20)17-7-11-19(12-8-17)29-15-16-5-3-2-4-6-16/h2-14,21,24H,15H2,1H3/t21-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate?
methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate has a molecular weight of 490.38 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 154634382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).