5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide

C12H15FN2O2S — CID 70741636

IUPAC5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)s1
InChIInChI=1S/C12H15FN2O2S/c1-7(16)10-2-3-11(18-10)12(17)15-6-9-4-8(13)5-14-9/h2-3,8-9,14H,4-6H2,1H3,(H,15,17)/t8-,9-/m0/s1
InChIKeyNNVBYEZLOCPQOE-IUCAKERBSA-N
MW270.33 g/mol
LogP1.38
Rot. Bonds4

About 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide

5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 70741636) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide
PubChem CID70741636
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)s1
InChIInChI=1S/C12H15FN2O2S/c1-7(16)10-2-3-11(18-10)12(17)15-6-9-4-8(13)5-14-9/h2-3,8-9,14H,4-6H2,1H3,(H,15,17)/t8-,9-/m0/s1
InChIKeyNNVBYEZLOCPQOE-IUCAKERBSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide (CID 70741636) is 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)s1.
What is the InChIKey of 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is NNVBYEZLOCPQOE-IUCAKERBSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-7(16)10-2-3-11(18-10)12(17)15-6-9-4-8(13)5-14-9/h2-3,8-9,14H,4-6H2,1H3,(H,15,17)/t8-,9-/m0/s1.
What are the key properties of 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide?
5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 70741636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).