N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C19H22FNO3S — CID 134056623

IUPACN-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCCCOc2ccc(F)cc2)s1
InChIInChI=1S/C19H22FNO3S/c1-14-4-10-18(25-14)17(22)9-11-19(23)21-12-2-3-13-24-16-7-5-15(20)6-8-16/h4-8,10H,2-3,9,11-13H2,1H3,(H,21,23)
InChIKeyMVQFKLSPMLOONC-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.13
Rot. Bonds10

About N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 134056623) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID134056623
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCCCOc2ccc(F)cc2)s1
InChIInChI=1S/C19H22FNO3S/c1-14-4-10-18(25-14)17(22)9-11-19(23)21-12-2-3-13-24-16-7-5-15(20)6-8-16/h4-8,10H,2-3,9,11-13H2,1H3,(H,21,23)
InChIKeyMVQFKLSPMLOONC-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18116165
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37362690
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
N-[2-(4-methoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18107464
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 110888816
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
CID 32644414
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 134056623) is N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCCCCOc2ccc(F)cc2)s1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is MVQFKLSPMLOONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-14-4-10-18(25-14)17(22)9-11-19(23)21-12-2-3-13-24-16-7-5-15(20)6-8-16/h4-8,10H,2-3,9,11-13H2,1H3,(H,21,23).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 363.45 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 134056623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).