N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

C13H13FN2O3S2 — CID 3244623

IUPACN-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)Nc1ccccc1F
InChIInChI=1S/C13H13FN2O3S2/c14-10-4-1-2-5-11(10)16-12(17)7-8-15-21(18,19)13-6-3-9-20-13/h1-6,9,15H,7-8H2,(H,16,17)
InChIKeyFXVBNNXCBCDDGJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.19
Rot. Bonds6

About N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 3244623) has the molecular formula C13H13FN2O3S2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID3244623
Molecular FormulaC13H13FN2O3S2
Molecular Weight328.39 g/mol
Exact Mass328.04
IUPAC NameN-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)Nc1ccccc1F
InChIInChI=1S/C13H13FN2O3S2/c14-10-4-1-2-5-11(10)16-12(17)7-8-15-21(18,19)13-6-3-9-20-13/h1-6,9,15H,7-8H2,(H,16,17)
InChIKeyFXVBNNXCBCDDGJ-UHFFFAOYSA-N
XLogP2.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 3244623) is N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccs1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is FXVBNNXCBCDDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S2/c14-10-4-1-2-5-11(10)16-12(17)7-8-15-21(18,19)13-6-3-9-20-13/h1-6,9,15H,7-8H2,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 328.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 3244623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).