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

C13H12FNOS — CID 41099331

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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Related Compounds

(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide
CID 41355345
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
CID 17404206
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
CID 61258454
(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide
CID 41441488

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).