5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

C15H15FN2O2S — CID 24635445

IUPAC5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(C)c2ccc(F)cc2)s1
InChIInChI=1S/C15H15FN2O2S/c1-9(11-3-5-12(16)6-4-11)17-15(20)13-7-8-14(21-13)18-10(2)19/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyIBLNAKJWNDAKBK-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.34
Rot. Bonds4

About 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 24635445) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID24635445
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(C)c2ccc(F)cc2)s1
InChIInChI=1S/C15H15FN2O2S/c1-9(11-3-5-12(16)6-4-11)17-15(20)13-7-8-14(21-13)18-10(2)19/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyIBLNAKJWNDAKBK-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (CID 24635445) is 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC(C)c2ccc(F)cc2)s1.
What is the InChIKey of 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is IBLNAKJWNDAKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-9(11-3-5-12(16)6-4-11)17-15(20)13-7-8-14(21-13)18-10(2)19/h3-9H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24635445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).