N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide

C12H10FNOS — CID 2255653

IUPACN-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H10FNOS/c13-10-5-3-9(4-6-10)8-14-12(15)11-2-1-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeyMXQYPMNMVLKJSO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.82
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide

N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 2255653) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID2255653
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC NameN-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H10FNOS/c13-10-5-3-9(4-6-10)8-14-12(15)11-2-1-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeyMXQYPMNMVLKJSO-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide (CID 2255653) is N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is MXQYPMNMVLKJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c13-10-5-3-9(4-6-10)8-14-12(15)11-2-1-7-16-11/h1-7H,8H2,(H,14,15).
What are the key properties of N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 2255653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).