propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate

C16H24N2O5S — CID 46469241

IUPACpropan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCC(=O)OC(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-11(2)18-24(21,22)14-7-5-6-13(10-14)16(20)17-9-8-15(19)23-12(3)4/h5-7,10-12,18H,8-9H2,1-4H3,(H,17,20)
InChIKeyPDWMMOYMNJORIS-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.44
Rot. Bonds8

About propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate

propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate (PubChem CID 46469241) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
PubChem CID46469241
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Namepropan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCC(=O)OC(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-11(2)18-24(21,22)14-7-5-6-13(10-14)16(20)17-9-8-15(19)23-12(3)4/h5-7,10-12,18H,8-9H2,1-4H3,(H,17,20)
InChIKeyPDWMMOYMNJORIS-UHFFFAOYSA-N
XLogP1.44
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360
N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26878695
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate (CID 46469241) is propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate is CC(C)NS(=O)(=O)c1cccc(C(=O)NCCC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate?
The InChIKey is PDWMMOYMNJORIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-11(2)18-24(21,22)14-7-5-6-13(10-14)16(20)17-9-8-15(19)23-12(3)4/h5-7,10-12,18H,8-9H2,1-4H3,(H,17,20).
What are the key properties of propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate?
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate has a molecular weight of 356.44 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate is sourced from PubChem (CID 46469241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).