propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate

C20H24N2O5S — CID 56550990

IUPACpropan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)OC(C)C)c2)c1
InChIInChI=1S/C20H24N2O5S/c1-13(2)27-19(23)12-21-20(24)18-11-17(9-8-15(18)4)28(25,26)22-16-7-5-6-14(3)10-16/h5-11,13,22H,12H2,1-4H3,(H,21,24)
InChIKeyPKXMJXLMCYAAIV-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.79
Rot. Bonds7

About propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate

propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate (PubChem CID 56550990) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
PubChem CID56550990
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namepropan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)OC(C)C)c2)c1
InChIInChI=1S/C20H24N2O5S/c1-13(2)27-19(23)12-21-20(24)18-11-17(9-8-15(18)4)28(25,26)22-16-7-5-6-14(3)10-16/h5-11,13,22H,12H2,1-4H3,(H,21,24)
InChIKeyPKXMJXLMCYAAIV-UHFFFAOYSA-N
XLogP2.79
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26714040
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate (CID 56550990) is propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)OC(C)C)c2)c1.
What is the InChIKey of propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate?
The InChIKey is PKXMJXLMCYAAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13(2)27-19(23)12-21-20(24)18-11-17(9-8-15(18)4)28(25,26)22-16-7-5-6-14(3)10-16/h5-11,13,22H,12H2,1-4H3,(H,21,24).
What are the key properties of propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate?
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate has a molecular weight of 404.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate is sourced from PubChem (CID 56550990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).