2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid

C14H14N2O5S2 — CID 6504034

IUPAC2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1)C(=O)O
InChIInChI=1S/C14H14N2O5S2/c1-9(14(18)19)16-23(20,21)11-7-12(22-8-11)13(17)15-10-5-3-2-4-6-10/h2-9,16H,1H3,(H,15,17)(H,18,19)
InChIKeyAGGYNAOMOXGEGS-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.75
Rot. Bonds6

About 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid

2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid (PubChem CID 6504034) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid
PubChem CID6504034
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Name2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1)C(=O)O
InChIInChI=1S/C14H14N2O5S2/c1-9(14(18)19)16-23(20,21)11-7-12(22-8-11)13(17)15-10-5-3-2-4-6-10/h2-9,16H,1H3,(H,15,17)(H,18,19)
InChIKeyAGGYNAOMOXGEGS-UHFFFAOYSA-N
XLogP1.75
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid
CID 40634872
2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6504079
N-(2-methylphenyl)-4-(propan-2-ylsulfamoyl)thiophene-2-carboxamide
CID 6504111
4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide
CID 6504058
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
2-[[5-(ethylcarbamoyl)thiophen-3-yl]sulfonylamino]-3-methylbutanoic acid
CID 6503964
4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81399028
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
N-(2-methylphenyl)-4-[(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6504099
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168
3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6503094

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid?
The IUPAC name of 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid (CID 6504034) is 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid?
The InChIKey is AGGYNAOMOXGEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-9(14(18)19)16-23(20,21)11-7-12(22-8-11)13(17)15-10-5-3-2-4-6-10/h2-9,16H,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid?
2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid has a molecular weight of 354.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid is sourced from PubChem (CID 6504034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).