1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid

C16H21N3O6S — CID 119354774

IUPAC1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H21N3O6S/c1-10(15(21)19-8-7-12(9-19)16(22)23)18-26(24,25)14-5-3-13(4-6-14)17-11(2)20/h3-6,10,12,18H,7-9H2,1-2H3,(H,17,20)(H,22,23)
InChIKeyRFGJJJHKUXGXNH-UHFFFAOYSA-N
MW383.43 g/mol
LogP0.24
Rot. Bonds6

About 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid

1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354774) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119354774
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Name1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H21N3O6S/c1-10(15(21)19-8-7-12(9-19)16(22)23)18-26(24,25)14-5-3-13(4-6-14)17-11(2)20/h3-6,10,12,18H,7-9H2,1-2H3,(H,17,20)(H,22,23)
InChIKeyRFGJJJHKUXGXNH-UHFFFAOYSA-N
XLogP0.24
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55939164
N-[4-[[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 120657511
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119354758
N-[4-[[(2S)-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55955686
2-[4-[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55936116
1-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119355103
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid
CID 119215921
N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
CID 119468711
N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide
CID 86815509
N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55942405
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid (CID 119354774) is 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RFGJJJHKUXGXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c1-10(15(21)19-8-7-12(9-19)16(22)23)18-26(24,25)14-5-3-13(4-6-14)17-11(2)20/h3-6,10,12,18H,7-9H2,1-2H3,(H,17,20)(H,22,23).
What are the key properties of 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid?
1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 383.43 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).