propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate

C21H24N2O6S — CID 56543920

IUPACpropan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O6S/c1-14(2)29-20(25)13-22-21(26)18-6-4-16(5-7-18)12-23-30(27,28)19-10-8-17(9-11-19)15(3)24/h4-11,14,23H,12-13H2,1-3H3,(H,22,26)
InChIKeyXIPFFUPNMGMQIL-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.05
Rot. Bonds9

About propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate

propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate (PubChem CID 56543920) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
PubChem CID56543920
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Namepropan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O6S/c1-14(2)29-20(25)13-22-21(26)18-6-4-16(5-7-18)12-23-30(27,28)19-10-8-17(9-11-19)15(3)24/h4-11,14,23H,12-13H2,1-3H3,(H,22,26)
InChIKeyXIPFFUPNMGMQIL-UHFFFAOYSA-N
XLogP2.05
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate with MolForge

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride
CID 120508926
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24575206
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 86951535
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144
3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide
CID 30858865
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55421866
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8603350
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8576950

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate (CID 56543920) is propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate?
The InChIKey is XIPFFUPNMGMQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-14(2)29-20(25)13-22-21(26)18-6-4-16(5-7-18)12-23-30(27,28)19-10-8-17(9-11-19)15(3)24/h4-11,14,23H,12-13H2,1-3H3,(H,22,26).
What are the key properties of propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate?
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate has a molecular weight of 432.50 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate is sourced from PubChem (CID 56543920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).