2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide

C16H18FNO2S — CID 123946292

IUPAC2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(Oc1ccc(C)c(F)c1)C(=O)NCc1cccs1
InChIInChI=1S/C16H18FNO2S/c1-3-15(16(19)18-10-13-5-4-8-21-13)20-12-7-6-11(2)14(17)9-12/h4-9,15H,3,10H2,1-2H3,(H,18,19)
InChIKeyBSAQULMVZUWQTC-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.67
Rot. Bonds6

About 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide

2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 123946292) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID123946292
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(Oc1ccc(C)c(F)c1)C(=O)NCc1cccs1
InChIInChI=1S/C16H18FNO2S/c1-3-15(16(19)18-10-13-5-4-8-21-13)20-12-7-6-11(2)14(17)9-12/h4-9,15H,3,10H2,1-2H3,(H,18,19)
InChIKeyBSAQULMVZUWQTC-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 4928633
2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 2970792
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 60505820
ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906338
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide (CID 123946292) is 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide is CCC(Oc1ccc(C)c(F)c1)C(=O)NCc1cccs1.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is BSAQULMVZUWQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-3-15(16(19)18-10-13-5-4-8-21-13)20-12-7-6-11(2)14(17)9-12/h4-9,15H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide?
2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 307.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 123946292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).