N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide

C17H20FNO2S — CID 32644414

IUPACN-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCCCOc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C17H20FNO2S/c1-12-11-16(13(2)22-12)17(20)19-9-3-4-10-21-15-7-5-14(18)6-8-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyIQRNOJSAAWBBGR-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.09
Rot. Bonds7

About N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide

N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 32644414) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID32644414
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCCCOc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C17H20FNO2S/c1-12-11-16(13(2)22-12)17(20)19-9-3-4-10-21-15-7-5-14(18)6-8-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyIQRNOJSAAWBBGR-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 32645860
N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55873980
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37362690
2-bromo-5-fluoro-N-[3-[4-(4-fluorophenoxy)butylamino]-3-oxopropyl]benzamide
CID 55793280
N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
CID 37362583
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483
4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37363004
N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 134056623
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
CID 120622289
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 33108068
ethyl 5-[4-(4-fluorophenoxy)butylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42572307
N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 32644150

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide (CID 32644414) is N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)NCCCCOc2ccc(F)cc2)c(C)s1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is IQRNOJSAAWBBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-12-11-16(13(2)22-12)17(20)19-9-3-4-10-21-15-7-5-14(18)6-8-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide?
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 32644414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).