2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid

C14H20N2O5S — CID 119224939

IUPAC2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O5S/c1-4-9(2)16-22(20,21)12-7-5-11(6-8-12)13(17)15-10(3)14(18)19/h5-10,16H,4H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyHZMFFZMRGYGROH-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.97
Rot. Bonds7

About 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid

2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid (PubChem CID 119224939) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
PubChem CID119224939
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O5S/c1-4-9(2)16-22(20,21)12-7-5-11(6-8-12)13(17)15-10(3)14(18)19/h5-10,16H,4H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyHZMFFZMRGYGROH-UHFFFAOYSA-N
XLogP0.97
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid (CID 119224939) is 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid is CCC(C)NS(=O)(=O)c1ccc(C(=O)NC(C)C(=O)O)cc1.
What is the InChIKey of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid?
The InChIKey is HZMFFZMRGYGROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-4-9(2)16-22(20,21)12-7-5-11(6-8-12)13(17)15-10(3)14(18)19/h5-10,16H,4H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid?
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid has a molecular weight of 328.39 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119224939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).