5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide

C18H14FNOS — CID 3785160

IUPAC5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1
InChIInChI=1S/C18H14FNOS/c1-20(15-5-3-2-4-6-15)18(21)17-12-11-16(22-17)13-7-9-14(19)10-8-13/h2-12H,1H3
InChIKeyXQQDFHUJYWHNAX-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.83
Rot. Bonds3

About 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide

5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide (PubChem CID 3785160) has the molecular formula C18H14FNOS and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide
PubChem CID3785160
Molecular FormulaC18H14FNOS
Molecular Weight311.38 g/mol
Exact Mass311.08
IUPAC Name5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1
InChIInChI=1S/C18H14FNOS/c1-20(15-5-3-2-4-6-15)18(21)17-12-11-16(22-17)13-7-9-14(19)10-8-13/h2-12H,1H3
InChIKeyXQQDFHUJYWHNAX-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide (CID 3785160) is 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide is CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide?
The InChIKey is XQQDFHUJYWHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNOS/c1-20(15-5-3-2-4-6-15)18(21)17-12-11-16(22-17)13-7-9-14(19)10-8-13/h2-12H,1H3.
What are the key properties of 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide?
5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 3785160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).