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N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C13H12FNOS — CID 41099331

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H12FNOS/c1-9(16)15-13(12-3-2-8-17-12)10-4-6-11(14)7-5-10/h2-8,13H,1H3,(H,15,16)/t13-/m0/s1
InChIKeyMUYWIZXCTVHDBA-ZDUSSCGKSA-N
MW249.31 g/mol
LogP3.11
Rot. Bonds3

About N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 41099331) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID41099331
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC NameN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H12FNOS/c1-9(16)15-13(12-3-2-8-17-12)10-4-6-11(14)7-5-10/h2-8,13H,1H3,(H,15,16)/t13-/m0/s1
InChIKeyMUYWIZXCTVHDBA-ZDUSSCGKSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 41099331) is N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is MUYWIZXCTVHDBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-9(16)15-13(12-3-2-8-17-12)10-4-6-11(14)7-5-10/h2-8,13H,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 41099331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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