5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide

C14H12FNO2S — CID 18105799

IUPAC5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccccc2F)s1
InChIInChI=1S/C14H12FNO2S/c1-9(17)12-6-7-13(19-12)14(18)16-8-10-4-2-3-5-11(10)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyAPVRNCDPBLHFQC-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.02
Rot. Bonds4

About 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide

5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 18105799) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID18105799
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccccc2F)s1
InChIInChI=1S/C14H12FNO2S/c1-9(17)12-6-7-13(19-12)14(18)16-8-10-4-2-3-5-11(10)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyAPVRNCDPBLHFQC-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 9069255
N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
CID 42310633
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 110851153
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
CID 9090014
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide (CID 18105799) is 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCc2ccccc2F)s1.
What is the InChIKey of 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is APVRNCDPBLHFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-9(17)12-6-7-13(19-12)14(18)16-8-10-4-2-3-5-11(10)15/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide?
5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18105799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).