5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide

C15H15FN2O2S — CID 41374052

IUPAC5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2cccc(F)c2)s1
InChIInChI=1S/C15H15FN2O2S/c1-10(19)17-14-7-6-13(21-14)15(20)18(2)9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyRJNLOJSMRRIEGV-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.12
Rot. Bonds4

About 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide

5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 41374052) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID41374052
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2cccc(F)c2)s1
InChIInChI=1S/C15H15FN2O2S/c1-10(19)17-14-7-6-13(21-14)15(20)18(2)9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyRJNLOJSMRRIEGV-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
N-{4,5-dimethyl-3-[(2-methyl-1-piperidinyl)methyl]-2-thienyl}-2-fluorobenzamide
CID 4395058
5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490343
5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490356
2-Benzoylamino-4,5-dimethyl-thiophene-3-carboxylic acid diethylamide
CID 724942
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]benzamide
CID 829077
N-[4,5-dimethyl-3-(1-piperidinylmethyl)-2-thienyl]-2-fluorobenzamide
CID 852250
N-[3-(1-azepanylmethyl)-4,5-dimethyl-2-thienyl]-4-fluorobenzamide
CID 984068
2-[2-(Benzyl-isobutyryl-amino)-acetylamino]-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 1460381

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide (CID 41374052) is 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)N(C)Cc2cccc(F)c2)s1.
What is the InChIKey of 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is RJNLOJSMRRIEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-10(19)17-14-7-6-13(21-14)15(20)18(2)9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide?
5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 41374052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).