N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C16H12FNOS2 — CID 17010905

IUPACN-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H12FNOS2/c17-12-5-7-13(8-6-12)18(11-14-3-1-9-20-14)16(19)15-4-2-10-21-15/h1-10H,11H2
InChIKeyJVXGKNDCXPUIDN-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.80
Rot. Bonds4

About N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 17010905) has the molecular formula C16H12FNOS2 and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID17010905
Molecular FormulaC16H12FNOS2
Molecular Weight317.41 g/mol
Exact Mass317.03
IUPAC NameN-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C16H12FNOS2/c17-12-5-7-13(8-6-12)18(11-14-3-1-9-20-14)16(19)15-4-2-10-21-15/h1-10H,11H2
InChIKeyJVXGKNDCXPUIDN-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288
N-(4-fluorophenyl)-2,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55891165
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17013553
5-bromo-N-[2-[4-fluoro-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55890788
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046328
N-(4-fluorophenyl)-2-methyl-3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide
CID 60533765
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 50749160
N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 35180799
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46052687
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55892057
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 17010905) is N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JVXGKNDCXPUIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS2/c17-12-5-7-13(8-6-12)18(11-14-3-1-9-20-14)16(19)15-4-2-10-21-15/h1-10H,11H2.
What are the key properties of N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 17010905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).