N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide

C16H14FNO2S — CID 90574583

IUPACN-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC#CCOc2ccccc2F)c1
InChIInChI=1S/C16H14FNO2S/c1-12-10-15(21-11-12)16(19)18-8-4-5-9-20-14-7-3-2-6-13(14)17/h2-3,6-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyPVMCEYAVNSHWHP-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.01
Rot. Bonds4

About N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide

N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide (PubChem CID 90574583) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide
PubChem CID90574583
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC NameN-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC#CCOc2ccccc2F)c1
InChIInChI=1S/C16H14FNO2S/c1-12-10-15(21-11-12)16(19)18-8-4-5-9-20-14-7-3-2-6-13(14)17/h2-3,6-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyPVMCEYAVNSHWHP-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-fluorophenoxy)but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90574343
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-4-methylthiophene-2-carboxamide
CID 90578620
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 90574533
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide
CID 90574385
N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide
CID 90574335
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3,5-dimethylbenzamide
CID 90577659
N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide
CID 90574329
N-[4-(2-fluorophenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90574577
4-bromo-N-[4-(2-fluorophenoxy)but-2-ynyl]butanamide
CID 90574526
4-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 90550468
1-[4-(2-fluorophenoxy)but-2-ynyl]-3-(4-methoxyphenyl)urea
CID 90574611
N-[4-(2-fluorophenoxy)but-2-ynyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90574502

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide (CID 90574583) is N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCC#CCOc2ccccc2F)c1.
What is the InChIKey of N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide?
The InChIKey is PVMCEYAVNSHWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-12-10-15(21-11-12)16(19)18-8-4-5-9-20-14-7-3-2-6-13(14)17/h2-3,6-7,10-11H,8-9H2,1H3,(H,18,19).
What are the key properties of N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide?
N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 90574583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).