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

C15H16FNOS — CID 46083001

IUPAC5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNOS/c1-3-10-17(2)15(18)14-9-8-13(19-14)11-4-6-12(16)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyGCJUPDAPDLFTJH-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.04
Rot. Bonds4

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

5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide (PubChem CID 46083001) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide
PubChem CID46083001
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNOS/c1-3-10-17(2)15(18)14-9-8-13(19-14)11-4-6-12(16)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyGCJUPDAPDLFTJH-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.04
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-propylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide (CID 46083001) is 5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide is CCCN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide?
The InChIKey is GCJUPDAPDLFTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-3-10-17(2)15(18)14-9-8-13(19-14)11-4-6-12(16)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide?
5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 4.04, 4 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-propylthiophene-2-carboxamide is sourced from PubChem (CID 46083001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).