2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid

C11H16N2O5S2 — CID 43171559

IUPAC2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O5S2/c1-3-6-20(17,18)13-7(2)9(14)12-10-8(11(15)16)4-5-19-10/h4-5,7,13H,3,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXUWHRVVOCIANDN-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.10
Rot. Bonds7

About 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid

2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid (PubChem CID 43171559) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid
PubChem CID43171559
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O5S2/c1-3-6-20(17,18)13-7(2)9(14)12-10-8(11(15)16)4-5-19-10/h4-5,7,13H,3,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXUWHRVVOCIANDN-UHFFFAOYSA-N
XLogP1.10
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(propylsulfonylamino)thiophene-3-carboxylic acid
CID 16776881
2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid
CID 43357412
3-[2-(propylsulfonylamino)propanoylamino]benzoic acid
CID 43171891
2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid
CID 115283908
6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid
CID 63642361
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide
CID 61221245
N-naphthalen-1-yl-2-(propylsulfonylamino)propanamide
CID 67204882

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid (CID 43171559) is 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid is CCCS(=O)(=O)NC(C)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid?
The InChIKey is XUWHRVVOCIANDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-3-6-20(17,18)13-7(2)9(14)12-10-8(11(15)16)4-5-19-10/h4-5,7,13H,3,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid?
2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylsulfonylamino)propanoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43171559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).